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6,6'-Dibromo-9,9'-diphenyl-3,3'-bicarbazole

Catalog Number
ACM354135754
CAS Number
354135-75-4
Product Name
6,6'-Dibromo-9,9'-diphenyl-3,3'-bicarbazole
Category
Small Molecule Semiconductor Building Blocks
IUPAC Name
3-bromo-6-(6-bromo-9-phenylcarbazol-3-yl)-9-phenylcarbazole
Molecular Weight
642.4g/mol
Molecular Formula
C36H22Br2N2
Canonical SMILES
C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=C5C=C(C=C6)Br)C7=CC=CC=C7)C8=C2C=CC(=C8)Br
InChI
InChI=1S/C36H22Br2N2/c37-25-13-17-35-31(21-25)29-19-23(11-15-33(29)39(35)27-7-3-1-4-8-27)24-12-16-34-30(20-24)32-22-26(38)14-18-36(32)40(34)28-9-5-2-6-10-28/h1-22H
InChI Key
VTIPHPNQFUCDAW-UHFFFAOYSA-N
Complexity
799
Covalently-Bonded Unit Count
1
Exact Mass
642.01292g/mol
Formal Charge
0
Heavy Atom Count
40
Monoisotopic Mass
640.01497g/mol
Rotatable Bond Count
3
XLogP3
11.1
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