9,10-diaminocarbonyl-3,4-bis[N'-(4-phenyldiazenylphenyl)carbamimidoyl]perylene-1-carboxylic acid

Systemtic Name: 9,10-diaminocarbonyl-3,4-bis[N'-(4-phenyldiazenylphenyl)carbamimidoyl]perylene-1-carboxylic acid Openeye Name: 9,10-dicarbamoyl-3,4-bis[N'-(4-phenylazophenyl)carbamimidoyl]perylene-1-carboxylic acid CAS Name: 3,4-bis[amino-(4-phenyldiazenylphenyl)iminomethyl]-9,10-dicarbamoyl-1-perylenecarboxylic acid IUPAC Name: 9,10-dicarbamoyl-3,4-bis[N'-(4-phenyldiazenylphenyl)carbamimidoyl]perylene-1-carboxylic acid Traditional Name: 9,10-dicarbamoyl-3,4-bis[N'-(4-phenylazophenyl)amidino]perylene-1-carboxylic acid Formula: C49H34N10O4 MolecularWeight: 826.85886

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=C(C3=C4C(=CC(=C5C4=C(C=C3)C6=C7C5=CC=C(C7=C(C=C6)C(=O)N)C(=O)N)C(=O)O)C(=NC8=CC=C(C=C8)N=NC9=CC=CC=C9)N)N

Isomeric SMILES

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=C(C3=C4C(=CC(=C5C4=C(C=C3)C6=C7C5=CC=C(C7=C(C=C6)C(=O)N)C(=O)N)C(=O)O)C(=NC8=CC=C(C=C8)N=NC9=CC=CC=C9)N)N

InChI

InChI=1S/C49H34N10O4/c50-45(54-26-11-15-30(16-12-26)58-56-28-7-3-1-4-8-28)35-22-19-33-32-20-23-36(47(52)60)43-37(48(53)61)24-21-34(40(32)43)41-39(49(62)63)25-38(42(35)44(33)41)46(51)55-27-13-17-31(18-14-27)59-57-29-9-5-2-6-10-29/h1-25H,(H2,50,54)(H2,51,55)(H2,52,60)(H2,53,61)(H,62,63)