3-tert-butyl-N6,N12-bis(4-tert-butylphenyl)-N6,N12-bis(4-phenylphenyl)chrysene-6,12-diamine

Systemtic Name: 3-tert-butyl-N6,N12-bis(4-tert-butylphenyl)-N6,N12-bis(4-phenylphenyl)chrysene-6,12-diamine Openeye Name: 3-tert-butyl-N6,N12-bis(4-tert-butylphenyl)-N6,N12-bis(4-phenylphenyl)chrysene-6,12-diamine CAS Name: 3-tert-butyl-N6,N12-bis(4-tert-butylphenyl)-N6,N12-bis(4-phenylphenyl)chrysene-6,12-diamine IUPAC Name: 3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-phenylphenyl)chrysene-6,12-diamine Traditional Name: [3-tert-butyl-12-(N-(4-tert-butylphenyl)-4-phenyl-anilino)chrysen-6-yl]-(4-tert-butylphenyl)-(4-phenylphenyl)amine Formula: C66H62N2 MolecularWeight: 883.21188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N(C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC5=C6C=C(C=CC6=C(C=C5C7=CC=CC=C74)N(C8=CC=C(C=C8)C9=CC=CC=C9)C1=CC=C(C=C1)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N(C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC5=C6C=C(C=CC6=C(C=C5C7=CC=CC=C74)N(C8=CC=C(C=C8)C9=CC=CC=C9)C1=CC=C(C=C1)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C66H62N2/c1-64(2,3)49-28-37-54(38-29-49)67(52-33-24-47(25-34-52)45-18-12-10-13-19-45)62-44-61-59-42-51(66(7,8)9)32-41-58(59)63(43-60(61)56-22-16-17-23-57(56)62)68(55-39-30-50(31-40-55)65(4,5)6)53-35-26-48(27-36-53)46-20-14-11-15-21-46/h10-44H,1-9H3