(4-methanoylphenyl)-[13-[(4-methanoylphenyl)-methyl-phenyl-azaniumyl]pentacen-6-yl]-methyl-phenyl-azanium

Systemtic Name: (4-methanoylphenyl)-[13-[(4-methanoylphenyl)-methyl-phenyl-azaniumyl]pentacen-6-yl]-methyl-phenyl-azanium Openeye Name: (4-formylphenyl)-[13-[(4-formylphenyl)-methyl-phenyl-ammonio]pentacen-6-yl]-methyl-phenyl-ammonium CAS Name: (4-formylphenyl)-[13-[(4-formylphenyl)-methyl-phenylammonio]-6-pentacenyl]-methyl-phenylammonium IUPAC Name: (4-formylphenyl)-[13-[(4-formylphenyl)-methyl-phenylazaniumyl]pentacen-6-yl]-methyl-phenylazanium Traditional Name: (4-formylphenyl)-[13-[(4-formylphenyl)-methyl-phenyl-ammonio]pentacen-6-yl]-methyl-phenyl-ammonium Formula: C50H38N2O2+2 MolecularWeight: 698.84892

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C1=CC=CC=C1)(C2=CC=C(C=C2)C=O)C3=C4C=C5C=CC=CC5=CC4=C(C6=CC7=CC=CC=C7C=C63)[N+](C)(C8=CC=CC=C8)C9=CC=C(C=C9)C=O

Isomeric SMILES

C[N+](C1=CC=CC=C1)(C2=CC=C(C=C2)C=O)C3=C4C=C5C=CC=CC5=CC4=C(C6=CC7=CC=CC=C7C=C63)[N+](C)(C8=CC=CC=C8)C9=CC=C(C=C9)C=O

InChI

InChI=1S/C50H38N2O2/c1-51(41-17-5-3-6-18-41,43-25-21-35(33-53)22-26-43)49-45-29-37-13-9-11-15-39(37)31-47(45)50(48-32-40-16-12-10-14-38(40)30-46(48)49)52(2,42-19-7-4-8-20-42)44-27-23-36(34-54)24-28-44/h3-34H,1-2H3/q+2