2-[3-[3-(2-fluorophenyl)-2H-benzimidazol-1-yl]-5-propylphenoxy]-9-(4-methyl-2-pyridinyl)carbazole

C40H33FN4O — CID 172534167

IUPAC2-[3-[3-(2-fluorophenyl)-2H-benzimidazol-1-yl]-5-propylphenoxy]-9-(4-methyl-2-pyridinyl)carbazole
SMILESCCCc1cc(Oc2ccc3c4ccccc4n(-c4cc(C)ccn4)c3c2)cc(N2CN(c3ccccc3F)c3ccccc32)c1
InChIInChI=1S/C40H33FN4O/c1-3-10-28-22-29(43-26-44(36-14-7-5-12-34(36)41)38-16-9-8-15-37(38)43)24-31(23-28)46-30-17-18-33-32-11-4-6-13-35(32)45(39(33)25-30)40-21-27(2)19-20-42-40/h4-9,11-25H,3,10,26H2,1-2H3
InChIKeyXBXQEZPNFUTOQT-UHFFFAOYSA-N
MW604.73 g/mol
LogP10.62
Rot. Bonds7

About 2-[3-[3-(2-fluorophenyl)-2H-benzimidazol-1-yl]-5-propylphenoxy]-9-(4-methyl-2-pyridinyl)carbazole

2-[3-[3-(2-fluorophenyl)-2H-benzimidazol-1-yl]-5-propylphenoxy]-9-(4-methyl-2-pyridinyl)carbazole (PubChem CID 172534167) has the molecular formula C40H33FN4O and a molecular weight of 604.73 g/mol. Its IUPAC name is 2-[3-[3-(2-fluorophenyl)-2H-benzimidazol-1-yl]-5-propylphenoxy]-9-(4-methyl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name2-[3-[3-(2-fluorophenyl)-2H-benzimidazol-1-yl]-5-propylphenoxy]-9-(4-methyl-2-pyridinyl)carbazole
PubChem CID172534167
Molecular FormulaC40H33FN4O
Molecular Weight604.73 g/mol
Exact Mass604.26
IUPAC Name2-[3-[3-(2-fluorophenyl)-2H-benzimidazol-1-yl]-5-propylphenoxy]-9-(4-methyl-2-pyridinyl)carbazole
SMILESCCCc1cc(Oc2ccc3c4ccccc4n(-c4cc(C)ccn4)c3c2)cc(N2CN(c3ccccc3F)c3ccccc32)c1
InChIInChI=1S/C40H33FN4O/c1-3-10-28-22-29(43-26-44(36-14-7-5-12-34(36)41)38-16-9-8-15-37(38)43)24-31(23-28)46-30-17-18-33-32-11-4-6-13-35(32)45(39(33)25-30)40-21-27(2)19-20-42-40/h4-9,11-25H,3,10,26H2,1-2H3
InChIKeyXBXQEZPNFUTOQT-UHFFFAOYSA-N
XLogP10.62
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.73
LogP ≤ 510.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[3-(2-fluorophenyl)-2H-benzimidazol-1-yl]-5-(4-isocyanophenyl)phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 172534036
2-[3-[3-(4-fluorophenyl)-2H-benzimidazol-1-yl]-5-(4-methylphenyl)phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole
CID 172534034
2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]-5-(3-methylpentan-3-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651139
2-[3-butyl-5-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153442696
2-[3-[3-[4-(3-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-(2-methylphenyl)phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 172534069
5-[3-[3-[4-(3-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-1,2-oxazole
CID 172533901
2-[3-[3-(2,4-difluorophenyl)-2H-benzimidazol-1-yl]-5-(2,6-dimethyl-4-phenylphenyl)phenoxy]-9-pyridin-2-ylcarbazole
CID 172534222
2-[3-[3-(4-fluorophenyl)-2H-benzimidazol-1-yl]-5-phenylphenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole
CID 172533980
2-[3-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propylphenoxy]-9-(4-methoxy-2-pyridinyl)carbazole
CID 153443095
2-[3-isocyano-5-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]-6-methyl-9-pyridin-2-ylcarbazole
CID 155636164
2-[3-[4-(2,6-diethyl-4-propylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153414216
2-[3-[3-[4-tert-butyl-2,6-bis(4-fluorophenyl)phenyl]-2H-benzimidazol-1-yl]-5-(3,5-dimethylphenyl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 172530963

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(2-fluorophenyl)-2H-benzimidazol-1-yl]-5-propylphenoxy]-9-(4-methyl-2-pyridinyl)carbazole?
The IUPAC name of 2-[3-[3-(2-fluorophenyl)-2H-benzimidazol-1-yl]-5-propylphenoxy]-9-(4-methyl-2-pyridinyl)carbazole (CID 172534167) is 2-[3-[3-(2-fluorophenyl)-2H-benzimidazol-1-yl]-5-propylphenoxy]-9-(4-methyl-2-pyridinyl)carbazole.
What is the SMILES notation for 2-[3-[3-(2-fluorophenyl)-2H-benzimidazol-1-yl]-5-propylphenoxy]-9-(4-methyl-2-pyridinyl)carbazole?
The canonical SMILES for 2-[3-[3-(2-fluorophenyl)-2H-benzimidazol-1-yl]-5-propylphenoxy]-9-(4-methyl-2-pyridinyl)carbazole is CCCc1cc(Oc2ccc3c4ccccc4n(-c4cc(C)ccn4)c3c2)cc(N2CN(c3ccccc3F)c3ccccc32)c1.
What is the InChIKey of 2-[3-[3-(2-fluorophenyl)-2H-benzimidazol-1-yl]-5-propylphenoxy]-9-(4-methyl-2-pyridinyl)carbazole?
The InChIKey is XBXQEZPNFUTOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H33FN4O/c1-3-10-28-22-29(43-26-44(36-14-7-5-12-34(36)41)38-16-9-8-15-37(38)43)24-31(23-28)46-30-17-18-33-32-11-4-6-13-35(32)45(39(33)25-30)40-21-27(2)19-20-42-40/h4-9,11-25H,3,10,26H2,1-2H3.
What are the key properties of 2-[3-[3-(2-fluorophenyl)-2H-benzimidazol-1-yl]-5-propylphenoxy]-9-(4-methyl-2-pyridinyl)carbazole?
2-[3-[3-(2-fluorophenyl)-2H-benzimidazol-1-yl]-5-propylphenoxy]-9-(4-methyl-2-pyridinyl)carbazole has a molecular weight of 604.73 g/mol, XLogP of 10.62, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(2-fluorophenyl)-2H-benzimidazol-1-yl]-5-propylphenoxy]-9-(4-methyl-2-pyridinyl)carbazole is sourced from PubChem (CID 172534167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).