N9,N10-bis(4-butylphenyl)-N9,N10-bis(4-methylphenyl)phenanthrene-9,10-diamine

Systemtic Name: N9,N10-bis(4-butylphenyl)-N9,N10-bis(4-methylphenyl)phenanthrene-9,10-diamine Openeye Name: N9,N10-bis(4-butylphenyl)-N9,N10-bis(p-tolyl)phenanthrene-9,10-diamine CAS Name: N9,N10-bis(4-butylphenyl)-N9,N10-bis(4-methylphenyl)phenanthrene-9,10-diamine IUPAC Name: 9-N,10-N-bis(4-butylphenyl)-9-N,10-N-bis(4-methylphenyl)phenanthrene-9,10-diamine Traditional Name: (4-butylphenyl)-[10-(N-(4-butylphenyl)-4-methyl-anilino)-9-phenanthryl]-(p-tolyl)amine Formula: C48H48N2 MolecularWeight: 652.90812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N(C2=CC=C(C=C2)C)C3=C(C4=CC=CC=C4C5=CC=CC=C53)N(C6=CC=C(C=C6)C)C7=CC=C(C=C7)CCCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)N(C2=CC=C(C=C2)C)C3=C(C4=CC=CC=C4C5=CC=CC=C53)N(C6=CC=C(C=C6)C)C7=CC=C(C=C7)CCCC

InChI

InChI=1S/C48H48N2/c1-5-7-13-37-23-31-41(32-24-37)49(39-27-19-35(3)20-28-39)47-45-17-11-9-15-43(45)44-16-10-12-18-46(44)48(47)50(40-29-21-36(4)22-30-40)42-33-25-38(26-34-42)14-8-6-2/h9-12,15-34H,5-8,13-14H2,1-4H3