N1,N6-bis(3-tert-butylphenyl)-N1,N6-diphenyl-pyrene-1,6-diamine

Systemtic Name: N1,N6-bis(3-tert-butylphenyl)-N1,N6-diphenyl-pyrene-1,6-diamine Openeye Name: N1,N6-bis(3-tert-butylphenyl)-N1,N6-diphenyl-pyrene-1,6-diamine CAS Name: N1,N6-bis(3-tert-butylphenyl)-N1,N6-diphenylpyrene-1,6-diamine IUPAC Name: 1-N,6-N-bis(3-tert-butylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine Traditional Name: (3-tert-butylphenyl)-[6-(N-(3-tert-butylphenyl)anilino)pyren-1-yl]-phenyl-amine Formula: C48H44N2 MolecularWeight: 648.87636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC=C1)N(C2=CC=CC=C2)C3=C4C=CC5=C6C4=C(C=CC6=C(C=C5)N(C7=CC=CC=C7)C8=CC=CC(=C8)C(C)(C)C)C=C3

Isomeric SMILES

CC(C)(C)C1=CC(=CC=C1)N(C2=CC=CC=C2)C3=C4C=CC5=C6C4=C(C=CC6=C(C=C5)N(C7=CC=CC=C7)C8=CC=CC(=C8)C(C)(C)C)C=C3

InChI

InChI=1S/C48H44N2/c1-47(2,3)35-15-13-21-39(31-35)49(37-17-9-7-10-18-37)43-29-25-33-24-28-42-44(30-26-34-23-27-41(43)45(33)46(34)42)50(38-19-11-8-12-20-38)40-22-14-16-36(32-40)48(4,5)6/h7-32H,1-6H3