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

Systemtic Name: N,N-bis(2,5-dimethyl-4-pyren-4-yl-phenyl)-2,5-dimethyl-4-pyren-1-yl-aniline Openeye Name: N,N-bis(2,5-dimethyl-4-pyren-4-yl-phenyl)-2,5-dimethyl-4-pyren-1-yl-aniline CAS Name: N,N-bis[2,5-dimethyl-4-(4-pyrenyl)phenyl]-2,5-dimethyl-4-(1-pyrenyl)aniline IUPAC Name: N,N-bis(2,5-dimethyl-4-pyren-4-ylphenyl)-2,5-dimethyl-4-pyren-1-ylaniline Traditional Name: (2,5-dimethyl-4-pyren-1-yl-phenyl)-bis(2,5-dimethyl-4-pyren-4-yl-phenyl)amine Formula: C72H51N MolecularWeight: 930.18204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=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)C)C1=C(C=C(C(=C1)C)C1=CC2=CC=CC3=C2C2=C(C=CC=C12)C=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1C2=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)C)C1=C(C=C(C(=C1)C)C1=CC2=CC=CC3=C2C2=C(C=CC=C12)C=C3)C

InChI

InChI=1S/C72H51N/c1-40-35-64(43(4)32-59(40)55-30-28-52-27-24-46-12-7-13-49-29-31-58(55)72(52)67(46)49)73(65-36-41(2)60(33-44(65)5)62-38-53-18-8-14-47-22-25-50-16-10-20-56(62)70(50)68(47)53)66-37-42(3)61(34-45(66)6)63-39-54-19-9-15-48-23-26-51-17-11-21-57(63)71(51)69(48)54/h7-39H,1-6H3