1,3,6,8-tetra-(p-aminophenyl)-pyrene - ≥97% , CAS No.1610471-69-6

CAS: 1610471-69-6 Cat. No.: B299969 Molecular Weight: 566.69 EC Number: 879-036-1

GRADE & PURITY ≥97%

Synonyms

4,4,4,4-(1,3,6,8-Pyrenetetrayl)tetrakis[benzenamine] | 4,4',4'',4'''-(Pyrene-1,3,6,8-tetrayl)tetraaniline | 4-[3,6,8-Tris(4-aminophenyl)pyren-1-yl]aniline

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

4, 4, 4, 4-(1, 3, 6, 8-Pyrenetetrayl)tetrakis[benzenamine] | 4, 4', 4'', 4'''-(Pyrene-1, 3, 6, 8-tetrayl)tetraaniline | 4-[3, 6, 8-Tris(4-aminophenyl)pyren-1-yl]aniline

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488202589
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488202589
• Canonical Smiles: C1=CC(=CC=C1C2=CC(=C3C=CC4=C(C=C(C5=C4C3=C2C=C5)C6=CC=C(C=C6)N)C7=CC=C(C=C7)N)C8=CC=C(C=C8)N)N
• IUPAC Name: 4-[3,6,8-tris(4-aminophenyl)pyren-1-yl]aniline
• InChIKey: XDTZQQXBFDIDSL-UHFFFAOYSA-N
• INCHI: 1S/C40H30N4/c41-27-9-1-23(2-10-27)35-21-36(24-3-11-28(42)12-4-24)32-19-20-34-38(26-7-15-30(44)16-8-26)22-37(25-5-13-29(43)14-6-25)33-18-17-31(35)39(32)40(33)34/h1-22H,41-44H2
• Isomeric SMILES: C1=CC(=CC=C1C2=CC(=C3C=CC4=C(C=C(C5=C4C3=C2C=C5)C6=CC=C(C=C6)N)C7=CC=C(C=C7)N)C8=CC=C(C=C8)N)N
• Molecular Weight: 566.69
• Reaxy-Rn: 27076500
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27076500&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Pyrenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Pyrenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrenes
• Alternative Parents: Phenylnaphthalenes Phenanthrenes and derivatives Aniline and substituted anilines Primary amines Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Pyrene - Phenylnaphthalene - Phenanthrene - Naphthalene - Aniline or substituted anilines - Monocyclic benzene moiety - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system.
• External Descriptors: Not available

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

Chemical and Physical Properties

• Molecular Weight: 566.700 g/mol
• XLogP3: 8.800
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 566.247 Da
• Monoisotopic Mass: 566.247 Da
• Topological Polar Surface Area: 104.000 Ų
• Heavy Atom Count: 44
• Formal Charge: 0
• Complexity: 789.000
• 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

References

1. Yingyi Zhao, Wenjun Lu, Yinan Zhang, Xianmin Liu, Baiwang Sun.  (2023)  Room temperature synthesis of piperazine-based nitrogen-rich porous organic polymers for efficient iodine adsorption.  MICROPOROUS AND MESOPOROUS MATERIALS,      [PMID:] [10.1016/j.micromeso.2023.112954]

2. Jun Hao, Qianxin Zhang, Yang Liu, Ping Chen, Xiaoshan Zheng, Xiaoqin Zhuang, Daijun Fu, Haijin Liu, Guoguang Liu, Wenying Lv.  (2020)  A novel nitrogen-containing covalent organic framework adsorbent for the efficient removal of bisphenol A from aqueous solution.  Journal of the Taiwan Institute of Chemical Engineers,      [PMID:] [10.1016/j.jtice.2020.08.016]

3. Shidong Wang, Wei Luo, Yeqin Chen, Tingfang Liu, Yu Huang, Xueqin Zhu, Zhiwei Cai, Minjian Yang.  (2025)  Ultrafast charge transfer channels induced by alkynyl bridge in novel covalent organic frameworks for boosting photocatalytic hydrogen evolution.  APPLIED CATALYSIS A-GENERAL,      [PMID:] [10.1016/j.apcata.2025.120418]

4. Gaimei Gao, Lei Gong, Mengying Huang, Bowen Li, Kaiqing Zhang, Beibei Zhang, Gaohao Sun, Tao Yang, Kang Wang, Jianzhuang Jiang.  (2026)  Trinuclear copper clusters in three-dimensional covalent organic framework for enhanced electroreduction of carbon dioxide to ethylene.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:] [10.1016/j.jcis.2026.140396]

5. Lewei Wang, Ru Zhang, Datong Wu, Wenrong Cai, Junyao Li, Yong Kong.  (2026)  High Performance Enantioselective Separation Facilitated by Charged Chiral Covalent Organic Framework Membrane.  ACS Applied Materials & Interfaces,      [PMID:] [10.1021/acsami.6c03050]