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9-{[1,1'-biphenyl]-4-yl}-9'-(triphenylen-2-yl)-3,3'-bicarbazole

9-{[1,1'-biphenyl]-4-yl}-9'-(triphenylen-2-yl)-3,3'-bicarbazole

Formula: C54H34N2

SMILES: C1=CC=C(C=C1)C1=CC=C(C=C1)N1C2=C(C=CC=C2)C2=C1C=CC(=C2)C1=CC2=C(C=C1)N(C1=C2C=CC=C1)C1=CC2=C(C=C1)C1=C(C=CC=C1)C1=C2C=CC=C1

IUPAC: 9-{[1,1'-biphenyl]-4-yl}-9'-(triphenylen-2-yl)-9H,9'H-3,3'-bicarbazole

InChI: InChI=1S/C54H34N2/c1-2-12-35(13-3-1)36-22-26-39(27-23-36)55-51-20-10-8-18-46(51)49-32-37(24-30-53(49)55)38-25-31-54-50(33-38)47-19-9-11-21-52(47)56(54)40-28-29-45-43-16-5-4-14-41(43)42-15-6-7-17-44(42)48(45)34-40/h1-34H

Composition: C (91.24%), H (4.82%), N (3.94%)

Molar Mass: 710.88

Atom Count: 90

Heavy Atom Count: 56

Properties
Properties
Common Names N/A
Aromatic Ring Count 12
Asymmetric Atom Count 0
Exact Mass 710.272199103
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey BQPVJRBXQXWQTR-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 250.5
Topological Polar Surface Area 9.86
Polarizability 102.48
Ring Count 12
Rotatable Bond Count 4

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