3-[3-(3-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]-9-phenylcarbazole

C55H36N4 — CID 58500899

IUPAC3-[3-(3-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]-9-phenylcarbazole
SMILESc1ccc(-n2c(-c3cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)nc3ccccc32)cc1
InChIInChI=1S/C55H36N4/c1-3-17-42(18-4-1)57-52-28-13-9-24-47(52)48-36-38(30-31-53(48)57)40-32-39(33-41(34-40)55-56-49-25-10-14-29-54(49)59(55)43-19-5-2-6-20-43)37-16-15-21-44(35-37)58-50-26-11-7-22-45(50)46-23-8-12-27-51(46)58/h1-36H
InChIKeyFGAOPNYWTAAUCA-UHFFFAOYSA-N
MW752.92 g/mol
LogP14.22
Rot. Bonds6

About 3-[3-(3-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]-9-phenylcarbazole

3-[3-(3-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]-9-phenylcarbazole (PubChem CID 58500899) has the molecular formula C55H36N4 and a molecular weight of 752.92 g/mol. Its IUPAC name is 3-[3-(3-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[3-(3-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]-9-phenylcarbazole
PubChem CID58500899
Molecular FormulaC55H36N4
Molecular Weight752.92 g/mol
Exact Mass752.29
IUPAC Name3-[3-(3-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]-9-phenylcarbazole
SMILESc1ccc(-n2c(-c3cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)nc3ccccc32)cc1
InChIInChI=1S/C55H36N4/c1-3-17-42(18-4-1)57-52-28-13-9-24-47(52)48-36-38(30-31-53(48)57)40-32-39(33-41(34-40)55-56-49-25-10-14-29-54(49)59(55)43-19-5-2-6-20-43)37-16-15-21-44(35-37)58-50-26-11-7-22-45(50)46-23-8-12-27-51(46)58/h1-36H
InChIKeyFGAOPNYWTAAUCA-UHFFFAOYSA-N
XLogP14.22
TPSA27.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.92
LogP ≤ 514.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]-9-phenylcarbazole?
The IUPAC name of 3-[3-(3-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]-9-phenylcarbazole (CID 58500899) is 3-[3-(3-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[3-(3-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]-9-phenylcarbazole?
The canonical SMILES for 3-[3-(3-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]-9-phenylcarbazole is c1ccc(-n2c(-c3cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)nc3ccccc32)cc1.
What is the InChIKey of 3-[3-(3-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]-9-phenylcarbazole?
The InChIKey is FGAOPNYWTAAUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N4/c1-3-17-42(18-4-1)57-52-28-13-9-24-47(52)48-36-38(30-31-53(48)57)40-32-39(33-41(34-40)55-56-49-25-10-14-29-54(49)59(55)43-19-5-2-6-20-43)37-16-15-21-44(35-37)58-50-26-11-7-22-45(50)46-23-8-12-27-51(46)58/h1-36H.
What are the key properties of 3-[3-(3-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]-9-phenylcarbazole?
3-[3-(3-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]-9-phenylcarbazole has a molecular weight of 752.92 g/mol, XLogP of 14.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]-9-phenylcarbazole is sourced from PubChem (CID 58500899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).