4,7-bis[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-2,1,3-benzothiadiazole

Systemtic Name: 4,7-bis[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-2,1,3-benzothiadiazole Openeye Name: 4,7-bis[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-2,1,3-benzothiadiazole CAS Name: 4,7-bis[4-(3,6-ditert-butyl-9-carbazolyl)phenyl]-2,1,3-benzothiadiazole IUPAC Name: 4,7-bis[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-2,1,3-benzothiadiazole Traditional Name: 4,7-bis[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]piazthiole Formula: C58H58N4S MolecularWeight: 843.17292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)N(C3=C2C=C(C=C3)C(C)(C)C)C4=CC=C(C=C4)C5=CC=C(C6=NSN=C56)C7=CC=C(C=C7)N8C9=C(C=C(C=C9)C(C)(C)C)C1=C8C=CC(=C1)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)N(C3=C2C=C(C=C3)C(C)(C)C)C4=CC=C(C=C4)C5=CC=C(C6=NSN=C56)C7=CC=C(C=C7)N8C9=C(C=C(C=C9)C(C)(C)C)C1=C8C=CC(=C1)C(C)(C)C

InChI

InChI=1S/C58H58N4S/c1-55(2,3)37-17-27-49-45(31-37)46-32-38(56(4,5)6)18-28-50(46)61(49)41-21-13-35(14-22-41)43-25-26-44(54-53(43)59-63-60-54)36-15-23-42(24-16-36)62-51-29-19-39(57(7,8)9)33-47(51)48-34-40(58(10,11)12)20-30-52(48)62/h13-34H,1-12H3