2-ethyl-N,N-bis(2-ethyl-5-methyl-4-pyren-4-yl-phenyl)-5-methyl-4-pyren-1-yl-aniline

Systemtic Name: 2-ethyl-N,N-bis(2-ethyl-5-methyl-4-pyren-4-yl-phenyl)-5-methyl-4-pyren-1-yl-aniline Openeye Name: 2-ethyl-N,N-bis(2-ethyl-5-methyl-4-pyren-4-yl-phenyl)-5-methyl-4-pyren-1-yl-aniline CAS Name: 2-ethyl-N,N-bis[2-ethyl-5-methyl-4-(4-pyrenyl)phenyl]-5-methyl-4-(1-pyrenyl)aniline IUPAC Name: 2-ethyl-N,N-bis(2-ethyl-5-methyl-4-pyren-4-ylphenyl)-5-methyl-4-pyren-1-ylaniline Traditional Name: (2-ethyl-5-methyl-4-pyren-1-yl-phenyl)-bis(2-ethyl-5-methyl-4-pyren-4-yl-phenyl)amine Formula: C75H57N MolecularWeight: 972.26178

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)C)N(C6=C(C=C(C(=C6)C)C7=CC8=CC=CC9=C8C1=C(C=CC=C71)C=C9)CC)C1=C(C=C(C(=C1)C)C1=CC2=CC=CC3=C2C2=C(C=CC=C12)C=C3)CC

Isomeric SMILES

CCC1=C(C=C(C(=C1)C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)C)N(C6=C(C=C(C(=C6)C)C7=CC8=CC=CC9=C8C1=C(C=CC=C71)C=C9)CC)C1=C(C=C(C(=C1)C)C1=CC2=CC=CC3=C2C2=C(C=CC=C12)C=C3)CC

InChI

InChI=1S/C75H57N/c1-7-46-38-62(58-33-31-55-30-27-49-15-10-16-52-32-34-61(58)75(55)70(49)52)43(4)35-67(46)76(68-36-44(5)63(39-47(68)8-2)65-41-56-21-11-17-50-25-28-53-19-13-23-59(65)73(53)71(50)56)69-37-45(6)64(40-48(69)9-3)66-42-57-22-12-18-51-26-29-54-20-14-24-60(66)74(54)72(51)57/h10-42H,7-9H2,1-6H3