9-[4-[3-(1-phenylbenzimidazol-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]phenyl]carbazole

C48H32N4 — CID 58500911

IUPAC9-[4-[3-(1-phenylbenzimidazol-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
SMILESc1ccc(-n2c(-c3cc(-c4ccc(-c5ccccn5)cc4)cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)nc3ccccc32)cc1
InChIInChI=1S/C48H32N4/c1-2-12-39(13-3-1)52-47-20-9-6-17-44(47)50-48(52)38-31-36(33-21-23-35(24-22-33)43-16-10-11-29-49-43)30-37(32-38)34-25-27-40(28-26-34)51-45-18-7-4-14-41(45)42-15-5-8-19-46(42)51/h1-32H
InChIKeyUXAHGRJRPJBQPA-UHFFFAOYSA-N
MW664.81 g/mol
LogP12.19
Rot. Bonds6

About 9-[4-[3-(1-phenylbenzimidazol-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]phenyl]carbazole

9-[4-[3-(1-phenylbenzimidazol-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]phenyl]carbazole (PubChem CID 58500911) has the molecular formula C48H32N4 and a molecular weight of 664.81 g/mol. Its IUPAC name is 9-[4-[3-(1-phenylbenzimidazol-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[3-(1-phenylbenzimidazol-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
PubChem CID58500911
Molecular FormulaC48H32N4
Molecular Weight664.81 g/mol
Exact Mass664.26
IUPAC Name9-[4-[3-(1-phenylbenzimidazol-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
SMILESc1ccc(-n2c(-c3cc(-c4ccc(-c5ccccn5)cc4)cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)nc3ccccc32)cc1
InChIInChI=1S/C48H32N4/c1-2-12-39(13-3-1)52-47-20-9-6-17-44(47)50-48(52)38-31-36(33-21-23-35(24-22-33)43-16-10-11-29-49-43)30-37(32-38)34-25-27-40(28-26-34)51-45-18-7-4-14-41(45)42-15-5-8-19-46(42)51/h1-32H
InChIKeyUXAHGRJRPJBQPA-UHFFFAOYSA-N
XLogP12.19
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.81
LogP ≤ 512.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole
CID 58500868
9-[4-[6-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-2-pyridinyl]phenyl]carbazole
CID 58500865
9-[4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 58470934
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 121307195
3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-2-ylphenyl)carbazole
CID 118967167
9-phenyl-2-[3-(9-phenylcarbazol-2-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole
CID 118289394
9-[4-[2-[4-[4-[4-(4-carbazol-9-ylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 88557862
9-[3-carbazol-9-yl-5-[3-(4-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole;9-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]carbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole;3,6-ditert-butyl-9-[4-[3-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole
CID 159243159
2-[4-[2-[3-[2-[6-[5-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]-5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-1-phenylbenzimidazole
CID 153448985
3-(9-phenylcarbazol-3-yl)-9-[4-[6-(4-phenylphenyl)-2-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 176826323
9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole
CID 118289395
9-[2-(4,6-diphenyl-2-pyridinyl)-4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 163531483

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-(1-phenylbenzimidazol-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]phenyl]carbazole?
The IUPAC name of 9-[4-[3-(1-phenylbenzimidazol-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]phenyl]carbazole (CID 58500911) is 9-[4-[3-(1-phenylbenzimidazol-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[3-(1-phenylbenzimidazol-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[3-(1-phenylbenzimidazol-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]phenyl]carbazole is c1ccc(-n2c(-c3cc(-c4ccc(-c5ccccn5)cc4)cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)nc3ccccc32)cc1.
What is the InChIKey of 9-[4-[3-(1-phenylbenzimidazol-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]phenyl]carbazole?
The InChIKey is UXAHGRJRPJBQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N4/c1-2-12-39(13-3-1)52-47-20-9-6-17-44(47)50-48(52)38-31-36(33-21-23-35(24-22-33)43-16-10-11-29-49-43)30-37(32-38)34-25-27-40(28-26-34)51-45-18-7-4-14-41(45)42-15-5-8-19-46(42)51/h1-32H.
What are the key properties of 9-[4-[3-(1-phenylbenzimidazol-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]phenyl]carbazole?
9-[4-[3-(1-phenylbenzimidazol-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]phenyl]carbazole has a molecular weight of 664.81 g/mol, XLogP of 12.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3-(1-phenylbenzimidazol-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]phenyl]carbazole is sourced from PubChem (CID 58500911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).