5-[6-(1-benzofuran-5-yl)-3-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)phenyl]-1H-indole

C35H23F2NO — CID 141147368

IUPAC5-[6-(1-benzofuran-5-yl)-3-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)phenyl]-1H-indole
SMILESCc1cc(-c2ccc(-c3ccc4occc4c3)c(-c3ccc4[nH]ccc4c3)c2-c2ccc(F)cc2)ccc1F
InChIInChI=1S/C35H23F2NO/c1-21-18-23(4-11-31(21)37)29-9-10-30(24-6-13-33-26(19-24)15-17-39-33)35(34(29)22-2-7-28(36)8-3-22)27-5-12-32-25(20-27)14-16-38-32/h2-20,38H,1H3
InChIKeyCRJBGKQXFOSIGD-UHFFFAOYSA-N
MW511.57 g/mol
LogP10.17
Rot. Bonds4

About 5-[6-(1-benzofuran-5-yl)-3-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)phenyl]-1H-indole

5-[6-(1-benzofuran-5-yl)-3-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)phenyl]-1H-indole (PubChem CID 141147368) has the molecular formula C35H23F2NO and a molecular weight of 511.57 g/mol. Its IUPAC name is 5-[6-(1-benzofuran-5-yl)-3-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)phenyl]-1H-indole.

Molecular Properties

Compound Name5-[6-(1-benzofuran-5-yl)-3-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)phenyl]-1H-indole
PubChem CID141147368
Molecular FormulaC35H23F2NO
Molecular Weight511.57 g/mol
Exact Mass511.17
IUPAC Name5-[6-(1-benzofuran-5-yl)-3-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)phenyl]-1H-indole
SMILESCc1cc(-c2ccc(-c3ccc4occc4c3)c(-c3ccc4[nH]ccc4c3)c2-c2ccc(F)cc2)ccc1F
InChIInChI=1S/C35H23F2NO/c1-21-18-23(4-11-31(21)37)29-9-10-30(24-6-13-33-26(19-24)15-17-39-33)35(34(29)22-2-7-28(36)8-3-22)27-5-12-32-25(20-27)14-16-38-32/h2-20,38H,1H3
InChIKeyCRJBGKQXFOSIGD-UHFFFAOYSA-N
XLogP10.17
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.57
LogP ≤ 510.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1-(2-(5-fluorobenzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 11164277
5-fluoro-3-(1-(2-(5-fluorobenzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 11188108
3-(1-(2-(benzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-5-fluoro-1H-indole
CID 11245340
3-(1-(2-(benzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile
CID 11257134
3-(1-(2-(benzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-7-ethyl-1H-indole
CID 11268718
3-(1-(2-(benzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 11416598
3-(1-(2-(benzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-6-fluoro-1H-indole
CID 11428376
3-(1-(2-(5-fluorobenzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile
CID 11485956
2-fluoro-4-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]benzamide
CID 117986194
2-(1H-indol-5-yl)xanthone
CID 24747921
3-(1H-indol-5-yl)xanthone
CID 24747942
2-(1H-indol-6-yl)xanthen-9-one
CID 25058292

Frequently Asked Questions

What is the IUPAC name of 5-[6-(1-benzofuran-5-yl)-3-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)phenyl]-1H-indole?
The IUPAC name of 5-[6-(1-benzofuran-5-yl)-3-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)phenyl]-1H-indole (CID 141147368) is 5-[6-(1-benzofuran-5-yl)-3-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)phenyl]-1H-indole.
What is the SMILES notation for 5-[6-(1-benzofuran-5-yl)-3-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)phenyl]-1H-indole?
The canonical SMILES for 5-[6-(1-benzofuran-5-yl)-3-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)phenyl]-1H-indole is Cc1cc(-c2ccc(-c3ccc4occc4c3)c(-c3ccc4[nH]ccc4c3)c2-c2ccc(F)cc2)ccc1F.
What is the InChIKey of 5-[6-(1-benzofuran-5-yl)-3-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)phenyl]-1H-indole?
The InChIKey is CRJBGKQXFOSIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23F2NO/c1-21-18-23(4-11-31(21)37)29-9-10-30(24-6-13-33-26(19-24)15-17-39-33)35(34(29)22-2-7-28(36)8-3-22)27-5-12-32-25(20-27)14-16-38-32/h2-20,38H,1H3.
What are the key properties of 5-[6-(1-benzofuran-5-yl)-3-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)phenyl]-1H-indole?
5-[6-(1-benzofuran-5-yl)-3-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)phenyl]-1H-indole has a molecular weight of 511.57 g/mol, XLogP of 10.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(1-benzofuran-5-yl)-3-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)phenyl]-1H-indole is sourced from PubChem (CID 141147368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).