1,4,5,8,9,12-Hexaazatriphenylene-2,3,6,7,10,11-hexacarboxamide

Base Information

• Chemical Name: 1,4,5,8,9,12-Hexaazatriphenylene-2,3,6,7,10,11-hexacarboxamide
• CAS No.: 105598-28-5
• Molecular Formula: C₁₈H₁₂N₁₂O₆
• Molecular Weight: 492.37
• DSSTox Substance ID: DTXSID901166626
• Nikkaji Number: J584.842C

Synonyms:DTXSID901166626;1,4,5,8,9,12-Hexaazatriphenylene-2,3,6,7,10,11-hexacarboxamide;Dipyrazino[2,3-f:2',3'-h]quinoxaline-2,3,6,7,10,11-hexacarboxamide;105598-28-5

Chemical Property of 1,4,5,8,9,12-Hexaazatriphenylene-2,3,6,7,10,11-hexacarboxamide

Chemical Property:

• XLogP3: -6.1
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 6
• Exact Mass: 492.10027615
• Heavy Atom Count: 36
• Complexity: 807

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• Canonical SMILES: C12=C(C3=C(C4=C1N=C(C(=N4)C(=O)N)C(=O)N)N=C(C(=N3)C(=O)N)C(=O)N)N=C(C(=N2)C(=O)N)C(=O)N

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