6,11-bis(3,6-ditert-butylcarbazol-9-yl)-3-methyl-phenanthro[9,10-b]pyrazine

Systemtic Name: 6,11-bis(3,6-ditert-butylcarbazol-9-yl)-3-methyl-phenanthro[9,10-b]pyrazine Openeye Name: 6,11-bis(3,6-ditert-butylcarbazol-9-yl)-3-methyl-phenanthro[9,10-b]pyrazine CAS Name: 6,11-bis(3,6-ditert-butyl-9-carbazolyl)-3-methylphenanthro[9,10-b]pyrazine IUPAC Name: 6,11-bis(3,6-ditert-butylcarbazol-9-yl)-3-methylphenanthro[9,10-b]pyrazine Traditional Name: 6,11-bis(3,6-ditert-butylcarbazol-9-yl)-3-methyl-phenanthro[9,10-b]pyrazine Formula: C57H58N4 MolecularWeight: 799.09722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C3=C(C=CC(=C3)N4C5=C(C=C(C=C5)C(C)(C)C)C6=C4C=CC(=C6)C(C)(C)C)C7=C(C2=N1)C=C(C=C7)N8C9=C(C=C(C=C9)C(C)(C)C)C1=C8C=CC(=C1)C(C)(C)C

Isomeric SMILES

CC1=CN=C2C3=C(C=CC(=C3)N4C5=C(C=C(C=C5)C(C)(C)C)C6=C4C=CC(=C6)C(C)(C)C)C7=C(C2=N1)C=C(C=C7)N8C9=C(C=C(C=C9)C(C)(C)C)C1=C8C=CC(=C1)C(C)(C)C

InChI

InChI=1S/C57H58N4/c1-33-32-58-52-46-30-38(60-48-22-14-34(54(2,3)4)26-42(48)43-27-35(55(5,6)7)15-23-49(43)60)18-20-40(46)41-21-19-39(31-47(41)53(52)59-33)61-50-24-16-36(56(8,9)10)28-44(50)45-29-37(57(11,12)13)17-25-51(45)61/h14-32H,1-13H3