N9-(3-methylphenyl)-N3-phenyl-N3-pyren-1-yl-N9-pyren-2-yl-perylene-3,9-diamine

Systemtic Name: N9-(3-methylphenyl)-N3-phenyl-N3-pyren-1-yl-N9-pyren-2-yl-perylene-3,9-diamine Openeye Name: N9-(m-tolyl)-N3-phenyl-N3-pyren-1-yl-N9-pyren-2-yl-perylene-3,9-diamine CAS Name: N9-(3-methylphenyl)-N3-phenyl-N3-(1-pyrenyl)-N9-(2-pyrenyl)perylene-3,9-diamine IUPAC Name: 9-N-(3-methylphenyl)-3-N-phenyl-3-N-pyren-1-yl-9-N-pyren-2-ylperylene-3,9-diamine Traditional Name: [9-(3-methyl-N-pyren-2-yl-anilino)perylen-3-yl]-phenyl-pyren-1-yl-amine Formula: C65H40N2 MolecularWeight: 849.0265

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(C2=CC=C3C4=C5C(=CC=C4)C(=CC=C5C6=C3C2=CC=C6)N(C7=CC=CC=C7)C8=C9C=CC1=CC=CC2=C1C9=C(C=C2)C=C8)C1=CC2=C3C(=C1)C=CC1=C3C(=CC=C1)C=C2

Isomeric SMILES

CC1=CC(=CC=C1)N(C2=CC=C3C4=C5C(=CC=C4)C(=CC=C5C6=C3C2=CC=C6)N(C7=CC=CC=C7)C8=C9C=CC1=CC=CC2=C1C9=C(C=C2)C=C8)C1=CC2=C3C(=C1)C=CC1=C3C(=CC=C1)C=C2

InChI

InChI=1S/C65H40N2/c1-39-10-5-17-48(36-39)66(49-37-45-26-24-40-11-6-12-41-25-27-46(38-49)62(45)60(40)41)57-34-31-52-51-19-9-21-55-59(35-32-53(65(51)55)50-18-8-20-54(57)64(50)52)67(47-15-3-2-4-16-47)58-33-29-44-23-22-42-13-7-14-43-28-30-56(58)63(44)61(42)43/h2-38H,1H3