N3,N3,N10,N10-tetrakis(3-ethylphenyl)-7-methyl-1-nitro-perylene-3,10-diamine

Systemtic Name: N3,N3,N10,N10-tetrakis(3-ethylphenyl)-7-methyl-1-nitro-perylene-3,10-diamine Openeye Name: N3,N3,N10,N10-tetrakis(3-ethylphenyl)-7-methyl-1-nitro-perylene-3,10-diamine CAS Name: N3,N3,N10,N10-tetrakis(3-ethylphenyl)-7-methyl-1-nitroperylene-3,10-diamine IUPAC Name: 3-N,3-N,10-N,10-N-tetrakis(3-ethylphenyl)-7-methyl-1-nitroperylene-3,10-diamine Traditional Name: [10-(3-ethyl-N-(3-ethylphenyl)anilino)-6-methyl-12-nitro-perylen-3-yl]-bis(3-ethylphenyl)amine Formula: C53H47N3O2 MolecularWeight: 757.95918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)N(C2=C3C=CC(=C4C3=C(C=C2)C5=C(C=C(C6=CC=CC4=C65)N(C7=CC=CC(=C7)CC)C8=CC=CC(=C8)CC)[N+](=O)[O-])C)C9=CC=CC(=C9)CC

Isomeric SMILES

CCC1=CC(=CC=C1)N(C2=C3C=CC(=C4C3=C(C=C2)C5=C(C=C(C6=CC=CC4=C65)N(C7=CC=CC(=C7)CC)C8=CC=CC(=C8)CC)[N+](=O)[O-])C)C9=CC=CC(=C9)CC

InChI

InChI=1S/C53H47N3O2/c1-6-35-15-10-19-39(29-35)54(40-20-11-16-36(7-2)30-40)47-28-27-46-51-44(47)26-25-34(5)50(51)45-24-14-23-43-48(33-49(56(57)58)53(46)52(43)45)55(41-21-12-17-37(8-3)31-41)42-22-13-18-38(9-4)32-42/h10-33H,6-9H2,1-5H3