N1,N3-bis(3,4-dimethylphenyl)-N1,N3-di(pyren-1-yl)benzene-1,3-diamine

Systemtic Name: N1,N3-bis(3,4-dimethylphenyl)-N1,N3-di(pyren-1-yl)benzene-1,3-diamine Openeye Name: N1,N3-bis(3,4-dimethylphenyl)-N1,N3-di(pyren-1-yl)benzene-1,3-diamine CAS Name: N1,N3-bis(3,4-dimethylphenyl)-N1,N3-bis(1-pyrenyl)benzene-1,3-diamine IUPAC Name: 1-N,3-N-bis(3,4-dimethylphenyl)-1-N,3-N-di(pyren-1-yl)benzene-1,3-diamine Traditional Name: (3,4-dimethylphenyl)-[3-(3,4-dimethyl-N-pyren-1-yl-anilino)phenyl]-pyren-1-yl-amine Formula: C54H40N2 MolecularWeight: 716.9088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(C2=CC(=CC=C2)N(C3=CC(=C(C=C3)C)C)C4=C5C=CC6=CC=CC7=C6C5=C(C=C7)C=C4)C8=C9C=CC1=CC=CC2=C1C9=C(C=C2)C=C8)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(C2=CC(=CC=C2)N(C3=CC(=C(C=C3)C)C)C4=C5C=CC6=CC=CC7=C6C5=C(C=C7)C=C4)C8=C9C=CC1=CC=CC2=C1C9=C(C=C2)C=C8)C

InChI

InChI=1S/C54H40N2/c1-33-14-24-45(30-35(33)3)55(49-28-22-41-18-16-37-8-5-10-39-20-26-47(49)53(41)51(37)39)43-12-7-13-44(32-43)56(46-25-15-34(2)36(4)31-46)50-29-23-42-19-17-38-9-6-11-40-21-27-48(50)54(42)52(38)40/h5-32H,1-4H3