4-[1-phenyl-4-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-yl]-5H-[1]benzofuro[3,2-c]carbazole

C48H29N5O — CID 176642464

IUPAC4-[1-phenyl-4-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-yl]-5H-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-n2c(-c3cccc4c3[nH]c3ccc5c6ccccc6oc5c34)nc3c(-c4ccc5c6ccccc6n(-c6ccccn6)c5c4)cccc32)cc1
InChIInChI=1S/C48H29N5O/c1-2-12-30(13-3-1)52-40-20-11-16-31(29-23-24-33-32-14-4-6-19-39(32)53(41(33)28-29)43-22-8-9-27-49-43)46(40)51-48(52)37-18-10-17-36-44-38(50-45(36)37)26-25-35-34-15-5-7-21-42(34)54-47(35)44/h1-28,50H
InChIKeyCRSJGZUCNWZGLR-UHFFFAOYSA-N
MW691.79 g/mol
LogP12.39
Rot. Bonds4

About 4-[1-phenyl-4-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-yl]-5H-[1]benzofuro[3,2-c]carbazole

4-[1-phenyl-4-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-yl]-5H-[1]benzofuro[3,2-c]carbazole (PubChem CID 176642464) has the molecular formula C48H29N5O and a molecular weight of 691.79 g/mol. Its IUPAC name is 4-[1-phenyl-4-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-yl]-5H-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name4-[1-phenyl-4-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-yl]-5H-[1]benzofuro[3,2-c]carbazole
PubChem CID176642464
Molecular FormulaC48H29N5O
Molecular Weight691.79 g/mol
Exact Mass691.24
IUPAC Name4-[1-phenyl-4-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-yl]-5H-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-n2c(-c3cccc4c3[nH]c3ccc5c6ccccc6oc5c34)nc3c(-c4ccc5c6ccccc6n(-c6ccccn6)c5c4)cccc32)cc1
InChIInChI=1S/C48H29N5O/c1-2-12-30(13-3-1)52-40-20-11-16-31(29-23-24-33-32-14-4-6-19-39(32)53(41(33)28-29)43-22-8-9-27-49-43)46(40)51-48(52)37-18-10-17-36-44-38(50-45(36)37)26-25-35-34-15-5-7-21-42(34)54-47(35)44/h1-28,50H
InChIKeyCRSJGZUCNWZGLR-UHFFFAOYSA-N
XLogP12.39
TPSA64.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.79
LogP ≤ 512.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-pyridin-2-yl-6-pyridin-4-ylcarbazole
CID 176642525
2-[2-(9H-carbazol-1-yl)-1-(3-methylphenyl)benzimidazol-4-yl]-9-pyridin-2-ylcarbazole
CID 176643522
9-[1-phenyl-2-[7-phenyl-3,4-di(propan-2-yl)-9H-carbazol-1-yl]benzimidazol-4-yl]-7-pyridin-2-yl-[1]benzofuro[2,3-b]carbazole
CID 176643352
2-[2-(9H-carbazol-1-yl)-6-methyl-1-phenylbenzimidazol-4-yl]-9-pyridin-2-ylcarbazole
CID 176642444
2-[2-(9H-carbazol-1-yl)-1-[3-(2-phenylpropan-2-yl)phenyl]benzimidazol-4-yl]-9-pyridin-2-ylcarbazole
CID 176642564
2-[2-(9H-carbazol-1-yl)-1-(3,4-dimethylphenyl)benzimidazol-4-yl]-9-pyridin-2-ylcarbazole
CID 176642472
7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-3-[difluoro(phenyl)methyl]-1-methyl-9-pyridin-2-ylcarbazole
CID 176643262
2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole
CID 176643299
1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
CID 140934309
9-[1-(3-tert-butylphenyl)-2-(9H-carbazol-1-yl)benzimidazol-4-yl]-7-[4-(trifluoromethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]carbazole
CID 176642476
1-[2-[2-(9H-carbazol-1-yl)-6-methyl-1-phenylbenzimidazol-4-yl]-6-(trifluoromethyl)carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine
CID 176642529
2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-methyl-2-pyridinyl)-7-(2-phenylpropan-2-yl)carbazole
CID 176642732

Frequently Asked Questions

What is the IUPAC name of 4-[1-phenyl-4-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-yl]-5H-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 4-[1-phenyl-4-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-yl]-5H-[1]benzofuro[3,2-c]carbazole (CID 176642464) is 4-[1-phenyl-4-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-yl]-5H-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 4-[1-phenyl-4-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-yl]-5H-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 4-[1-phenyl-4-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-yl]-5H-[1]benzofuro[3,2-c]carbazole is c1ccc(-n2c(-c3cccc4c3[nH]c3ccc5c6ccccc6oc5c34)nc3c(-c4ccc5c6ccccc6n(-c6ccccn6)c5c4)cccc32)cc1.
What is the InChIKey of 4-[1-phenyl-4-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-yl]-5H-[1]benzofuro[3,2-c]carbazole?
The InChIKey is CRSJGZUCNWZGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N5O/c1-2-12-30(13-3-1)52-40-20-11-16-31(29-23-24-33-32-14-4-6-19-39(32)53(41(33)28-29)43-22-8-9-27-49-43)46(40)51-48(52)37-18-10-17-36-44-38(50-45(36)37)26-25-35-34-15-5-7-21-42(34)54-47(35)44/h1-28,50H.
What are the key properties of 4-[1-phenyl-4-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-yl]-5H-[1]benzofuro[3,2-c]carbazole?
4-[1-phenyl-4-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-yl]-5H-[1]benzofuro[3,2-c]carbazole has a molecular weight of 691.79 g/mol, XLogP of 12.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-phenyl-4-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-yl]-5H-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 176642464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).