5-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)phenyl]-[1]benzofuro[3,2-c]carbazole

C37H22FN3O — CID 90324675

IUPAC5-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESFc1ccc2nc(-c3ccccc3)n(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc3)c2c1
InChIInChI=1S/C37H22FN3O/c38-24-14-20-30-33(22-24)41(37(39-30)23-8-2-1-3-9-23)26-17-15-25(16-18-26)40-31-12-6-4-11-29(31)35-32(40)21-19-28-27-10-5-7-13-34(27)42-36(28)35/h1-22H
InChIKeyHRYPUZMCOHTLFL-UHFFFAOYSA-N
MW543.60 g/mol
LogP9.83
Rot. Bonds3

About 5-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)phenyl]-[1]benzofuro[3,2-c]carbazole

5-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)phenyl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 90324675) has the molecular formula C37H22FN3O and a molecular weight of 543.60 g/mol. Its IUPAC name is 5-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)phenyl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
PubChem CID90324675
Molecular FormulaC37H22FN3O
Molecular Weight543.60 g/mol
Exact Mass543.17
IUPAC Name5-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESFc1ccc2nc(-c3ccccc3)n(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc3)c2c1
InChIInChI=1S/C37H22FN3O/c38-24-14-20-30-33(22-24)41(37(39-30)23-8-2-1-3-9-23)26-17-15-25(16-18-26)40-31-12-6-4-11-29(31)35-32(40)21-19-28-27-10-5-7-13-34(27)42-36(28)35/h1-22H
InChIKeyHRYPUZMCOHTLFL-UHFFFAOYSA-N
XLogP9.83
TPSA35.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.60
LogP ≤ 59.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[Dibenzofuran-2-yl(phenyl)methyl]benzimidazol-1-ium-1-yl]-1-(4-fluorophenyl)ethanone bromide
CID 72203962
1-(2,4-diisopropyldibenzo[b,d]furan-3-yl)-2-phenyl-1H-imidazole
CID 58400869
4-([1]benzofuro[3,2-c]carbazol-5-yl)-N-(4-carbazol-9-ylphenyl)-N-(4-fluorophenyl)aniline
CID 66585175
2-(4-fluorophenyl)-N-methyl-5-[3-(1-methylbenzimidazol-2-yl)phenyl]-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 68239554
7-(4-Dibenzofuran-4-ylquinazolin-2-yl)-10-fluorobenzo[c]carbazole
CID 71109047
2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-5-(1-phenyl-1H-benzo[d]imidazol-6-yl)benzofuran-3-carboxamide
CID 71295663
2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(2-methyl-3-phenylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide
CID 71509677
2-(4-fluorophenyl)-5-[3-(4-fluorophenyl)-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 71509678
9-[8-(6-Carbazol-9-yl-2-pyridinyl)dibenzofuran-2-yl]-3,6-difluorocarbazole
CID 89433789
9-[6-(8-Carbazol-9-yldibenzofuran-2-yl)-2-pyridinyl]-3,6-difluorocarbazole
CID 89433790
5-(1-(3-carbamoyl-4-fluorophenyl)-4-fluoro-2-methyl-1H-benzo[d]imidazol-6-yl)-2-(4-fluorophenyl)-N-methyl-6-(N-methylmethylsulfonamido)benzofuran-3-carboxamide
CID 89435920
N-[4-(4-fluorophenyl)phenyl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-3-amine
CID 90194011

Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)phenyl]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)phenyl]-[1]benzofuro[3,2-c]carbazole (CID 90324675) is 5-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)phenyl]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)phenyl]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)phenyl]-[1]benzofuro[3,2-c]carbazole is Fc1ccc2nc(-c3ccccc3)n(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc3)c2c1.
What is the InChIKey of 5-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)phenyl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is HRYPUZMCOHTLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22FN3O/c38-24-14-20-30-33(22-24)41(37(39-30)23-8-2-1-3-9-23)26-17-15-25(16-18-26)40-31-12-6-4-11-29(31)35-32(40)21-19-28-27-10-5-7-13-34(27)42-36(28)35/h1-22H.
What are the key properties of 5-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)phenyl]-[1]benzofuro[3,2-c]carbazole?
5-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)phenyl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 543.60 g/mol, XLogP of 9.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)phenyl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 90324675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).