3,6-ditert-butyl-9-ethyl-1,8-di(pyren-1-yl)carbazole

Systemtic Name: 3,6-ditert-butyl-9-ethyl-1,8-di(pyren-1-yl)carbazole Openeye Name: 3,6-ditert-butyl-9-ethyl-1,8-di(pyren-1-yl)carbazole CAS Name: 3,6-ditert-butyl-9-ethyl-1,8-bis(1-pyrenyl)carbazole IUPAC Name: 3,6-ditert-butyl-9-ethyl-1,8-di(pyren-1-yl)carbazole Traditional Name: 3,6-ditert-butyl-9-ethyl-1,8-di(pyren-1-yl)carbazole Formula: C54H45N MolecularWeight: 707.9418

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2C3=CC(=CC(=C31)C4=C5C=CC6=CC=CC7=C6C5=C(C=C7)C=C4)C(C)(C)C)C(C)(C)C)C8=C9C=CC1=CC=CC2=C1C9=C(C=C2)C=C8

Isomeric SMILES

CCN1C2=C(C=C(C=C2C3=CC(=CC(=C31)C4=C5C=CC6=CC=CC7=C6C5=C(C=C7)C=C4)C(C)(C)C)C(C)(C)C)C8=C9C=CC1=CC=CC2=C1C9=C(C=C2)C=C8

InChI

InChI=1S/C54H45N/c1-8-55-51-43(39-23-19-35-17-15-31-11-9-13-33-21-25-41(39)49(35)47(31)33)27-37(53(2,3)4)29-45(51)46-30-38(54(5,6)7)28-44(52(46)55)40-24-20-36-18-16-32-12-10-14-34-22-26-42(40)50(36)48(32)34/h9-30H,8H2,1-7H3