Phenanthrene - sublimed grade, ≥99.5% , CAS No.85-01-8

CAS: 85-01-8 Cat. No.: P109249 분자식: C₁₄H₁₀ 분자량: 178.23 Beilstein Registry Number: 1905428 EC 번호: 201-581-5

등급 & 순도 Sublimed grade, ≥99.5%

Storage

Argon charged,Room temperature

Shipped In

Normal

사양

사양 및 순도

sublimed grade, ≥99.5%

보관 조건

Argon charged,Room temperature

배송

Normal

등급

승화 등급

순수함

≥99.5%

이름과 식별자

Pubchem Sid

504750447

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504750447

정식 스마일

C1=CC=C2C(=C1)C=CC3=CC=CC=C32

IUPAC Name

phenanthrene

InChIKey

YNPNZTXNASCQKK-UHFFFAOYSA-N

INCHI

1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H

이성체 SMILES

C1=CC=C2C(=C1)C=CC3=CC=CC=C32

WGK 독일

2

분자량

178.23

Beilstein

1905428

Reaxy-Rn

1905428

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1905428&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Phenanthrenes and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Phenanthrenes and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenanthrenes and derivatives
• Alternative Parents: Naphthalenes Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Phenanthrene - Naphthalene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
• External Descriptors: a ring

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

관련 대상(인간)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

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KCNH2 Tclin HERG (29587 Activities)

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RXRA Tclin Retinoid X receptor alpha (3637 Activities)

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CXCL8 Tchem Interleukin-8 (642 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

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CYP2A6 Tchem Cytochrome P450 2A6 (2861 Activities)

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HL-60 (67320 Activities)

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THP-1 (11052 Activities)

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HCT-116 (91556 Activities)

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Lymphoblastoid cell (5959 Activities)

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HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)

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KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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관련 대상(비인간)

Cyp2a5 Cytochrome P450 2A5 (126 Activities)

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Nannizzia gypsea (2039 Activities)

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Microsporum canis (872 Activities)

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Aspergillus flavus (8875 Activities)

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Aspergillus niger (16508 Activities)

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Saccharomyces cerevisiae (19171 Activities)

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Aspergillus fumigatus (16427 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Trichophyton rubrum (3646 Activities)

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Epidermophyton floccosum (561 Activities)

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Trichophyton mentagrophytes (4846 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 발화점(°F): -0.4℉
• 발화점(°C): -18 °C
• 끓는점(°C): 340°C
• 녹는점(°C): 100°C
• 분자량: 178.230 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 178.078 Da
• Monoisotopic Mass: 178.078 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 174.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1