4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2-propan-2-yl-6,6-bis[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydrocyclopenta[b]pyridin-5-ol

C41H32F11NO — CID 15391362

IUPAC4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2-propan-2-yl-6,6-bis[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydrocyclopenta[b]pyridin-5-ol
SMILESCC(C)c1nc2c(c(-c3ccc(F)cc3)c1C(F)c1ccc(C(F)(F)F)cc1)C(O)C(Cc1ccc(C(F)(F)F)cc1)(Cc1ccc(C(F)(F)F)cc1)C2
InChIInChI=1S/C41H32F11NO/c1-22(2)36-34(35(43)26-7-15-29(16-8-26)41(50,51)52)32(25-9-17-30(42)18-10-25)33-31(53-36)21-38(37(33)54,19-23-3-11-27(12-4-23)39(44,45)46)20-24-5-13-28(14-6-24)40(47,48)49/h3-18,22,35,37,54H,19-21H2,1-2H3
InChIKeyZNPLXOVMDVJLDA-UHFFFAOYSA-N
MW763.69 g/mol
LogP12.19
Rot. Bonds8

About 4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2-propan-2-yl-6,6-bis[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydrocyclopenta[b]pyridin-5-ol

4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2-propan-2-yl-6,6-bis[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydrocyclopenta[b]pyridin-5-ol (PubChem CID 15391362) has the molecular formula C41H32F11NO and a molecular weight of 763.69 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2-propan-2-yl-6,6-bis[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydrocyclopenta[b]pyridin-5-ol.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2-propan-2-yl-6,6-bis[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydrocyclopenta[b]pyridin-5-ol
PubChem CID15391362
Molecular FormulaC41H32F11NO
Molecular Weight763.69 g/mol
Exact Mass763.23
IUPAC Name4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2-propan-2-yl-6,6-bis[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydrocyclopenta[b]pyridin-5-ol
SMILESCC(C)c1nc2c(c(-c3ccc(F)cc3)c1C(F)c1ccc(C(F)(F)F)cc1)C(O)C(Cc1ccc(C(F)(F)F)cc1)(Cc1ccc(C(F)(F)F)cc1)C2
InChIInChI=1S/C41H32F11NO/c1-22(2)36-34(35(43)26-7-15-29(16-8-26)41(50,51)52)32(25-9-17-30(42)18-10-25)33-31(53-36)21-38(37(33)54,19-23-3-11-27(12-4-23)39(44,45)46)20-24-5-13-28(14-6-24)40(47,48)49/h3-18,22,35,37,54H,19-21H2,1-2H3
InChIKeyZNPLXOVMDVJLDA-UHFFFAOYSA-N
XLogP12.19
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.69
LogP ≤ 512.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2-propan-2-yl-6,6-bis[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydrocyclopenta[b]pyridin-5-ol with MolForge

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Related Compounds

Bay-60-5521
CID 11691871
(S)-2-cyclopentyl-3-((S)-fluoro(4-(trifluoromethyl)phenyl)methyl)-4-(4-fluorophenyl)-7,7-dimethyl-5,6,7,8-tetrahydroquinolin-5-ol
CID 9936334
(S)-4-cyclohexyl-3-((S)-fluoro(4-(trifluoromethyl)phenyl)methyl)-2-isopropyl-7,7-dimethyl-5,6,7,8-tetrahydroquinolin-5-ol
CID 11554734
(S)-4-cyclohexyl-2-cyclopentyl-7,7-dimethyl-3-(4-(trifluoromethyl)benzyl)-5,6,7,8-tetrahydroquinolin-5-ol
CID 46880460
2,4-diphenyl-5H-indeno[1,2-b]pyridin-5-ol
CID 145974096
2-(4-fluorophenyl)-4-phenyl-5H-indeno[1,2-b]pyridin-5-ol
CID 168272718
4-phenyl-2-[2-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridin-5-ol
CID 168275498
4-phenyl-2-[4-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridin-5-ol
CID 168280483
2-(2-fluorophenyl)-4-phenyl-5H-indeno[1,2-b]pyridin-5-ol
CID 168282330
2-(3-fluorophenyl)-4-phenyl-5H-indeno[1,2-b]pyridin-5-ol
CID 168296503
4-phenyl-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridin-5-ol
CID 168296826
(5S)-2-cyclopentyl-4-(3,4-difluorophenyl)-7,7-dimethyl-3-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-quinolin-5-ol
CID 9871164

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2-propan-2-yl-6,6-bis[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydrocyclopenta[b]pyridin-5-ol?
The IUPAC name of 4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2-propan-2-yl-6,6-bis[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydrocyclopenta[b]pyridin-5-ol (CID 15391362) is 4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2-propan-2-yl-6,6-bis[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydrocyclopenta[b]pyridin-5-ol.
What is the SMILES notation for 4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2-propan-2-yl-6,6-bis[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydrocyclopenta[b]pyridin-5-ol?
The canonical SMILES for 4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2-propan-2-yl-6,6-bis[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydrocyclopenta[b]pyridin-5-ol is CC(C)c1nc2c(c(-c3ccc(F)cc3)c1C(F)c1ccc(C(F)(F)F)cc1)C(O)C(Cc1ccc(C(F)(F)F)cc1)(Cc1ccc(C(F)(F)F)cc1)C2.
What is the InChIKey of 4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2-propan-2-yl-6,6-bis[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydrocyclopenta[b]pyridin-5-ol?
The InChIKey is ZNPLXOVMDVJLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H32F11NO/c1-22(2)36-34(35(43)26-7-15-29(16-8-26)41(50,51)52)32(25-9-17-30(42)18-10-25)33-31(53-36)21-38(37(33)54,19-23-3-11-27(12-4-23)39(44,45)46)20-24-5-13-28(14-6-24)40(47,48)49/h3-18,22,35,37,54H,19-21H2,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2-propan-2-yl-6,6-bis[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydrocyclopenta[b]pyridin-5-ol?
4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2-propan-2-yl-6,6-bis[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydrocyclopenta[b]pyridin-5-ol has a molecular weight of 763.69 g/mol, XLogP of 12.19, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2-propan-2-yl-6,6-bis[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydrocyclopenta[b]pyridin-5-ol is sourced from PubChem (CID 15391362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).