[1-[(2-chlorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(3-chlorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(2-fluorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(3-methoxyphenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)indol-2-yl]methanol

C93H72Cl2F13N5O6 — CID 160567817

IUPAC[1-[(2-chlorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(3-chlorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(2-fluorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(3-methoxyphenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)indol-2-yl]methanol
SMILESCOc1cccc(Cn2c(CO)c(-c3ccc(OC)nc3)c3cc(C(F)(F)F)ccc32)c1.OCc1c(-c2ccccc2)c2cc(C(F)(F)F)ccc2n1Cc1cccc(Cl)c1.OCc1c(-c2ccccc2)c2cc(C(F)(F)F)ccc2n1Cc1ccccc1Cl.OCc1c(-c2ccccc2)c2cc(C(F)(F)F)ccc2n1Cc1ccccc1F
InChIInChI=1S/C24H21F3N2O3.2C23H17ClF3NO.C23H17F4NO/c1-31-18-5-3-4-15(10-18)13-29-20-8-7-17(24(25,26)27)11-19(20)23(21(29)14-30)16-6-9-22(32-2)28-12-16;24-18-8-4-5-15(11-18)13-28-20-10-9-17(23(25,26)27)12-19(20)22(21(28)14-29)16-6-2-1-3-7-16;2*24-19-9-5-4-8-16(19)13-28-20-11-10-17(23(25,26)27)12-18(20)22(21(28)14-29)15-6-2-1-3-7-15/h3-12,30H,13-14H2,1-2H3;3*1-12,29H,13-14H2
InChIKeyRADRIEMBSGZEJI-UHFFFAOYSA-N
MW1673.51 g/mol
LogP24.33
Rot. Bonds18

About [1-[(2-chlorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(3-chlorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(2-fluorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(3-methoxyphenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)indol-2-yl]methanol

[1-[(2-chlorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(3-chlorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(2-fluorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(3-methoxyphenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)indol-2-yl]methanol (PubChem CID 160567817) has the molecular formula C93H72Cl2F13N5O6 and a molecular weight of 1673.51 g/mol. Its IUPAC name is [1-[(2-chlorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(3-chlorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(2-fluorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(3-methoxyphenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)indol-2-yl]methanol.

Molecular Properties

Compound Name[1-[(2-chlorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(3-chlorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(2-fluorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(3-methoxyphenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)indol-2-yl]methanol
PubChem CID160567817
Molecular FormulaC93H72Cl2F13N5O6
Molecular Weight1673.51 g/mol
Exact Mass1671.47
IUPAC Name[1-[(2-chlorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(3-chlorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(2-fluorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(3-methoxyphenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)indol-2-yl]methanol
SMILESCOc1cccc(Cn2c(CO)c(-c3ccc(OC)nc3)c3cc(C(F)(F)F)ccc32)c1.OCc1c(-c2ccccc2)c2cc(C(F)(F)F)ccc2n1Cc1cccc(Cl)c1.OCc1c(-c2ccccc2)c2cc(C(F)(F)F)ccc2n1Cc1ccccc1Cl.OCc1c(-c2ccccc2)c2cc(C(F)(F)F)ccc2n1Cc1ccccc1F
InChIInChI=1S/C24H21F3N2O3.2C23H17ClF3NO.C23H17F4NO/c1-31-18-5-3-4-15(10-18)13-29-20-8-7-17(24(25,26)27)11-19(20)23(21(29)14-30)16-6-9-22(32-2)28-12-16;24-18-8-4-5-15(11-18)13-28-20-10-9-17(23(25,26)27)12-19(20)22(21(28)14-29)16-6-2-1-3-7-16;2*24-19-9-5-4-8-16(19)13-28-20-11-10-17(23(25,26)27)12-18(20)22(21(28)14-29)15-6-2-1-3-7-15/h3-12,30H,13-14H2,1-2H3;3*1-12,29H,13-14H2
InChIKeyRADRIEMBSGZEJI-UHFFFAOYSA-N
XLogP24.33
TPSA131.99 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds18
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001673.51
LogP ≤ 524.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze [1-[(2-chlorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(3-chlorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(2-fluorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(3-methoxyphenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)indol-2-yl]methanol with MolForge

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Related Compounds

[1-[(2-Chlorophenyl)methyl]-3-(6-methoxypyridin-3-yl)-5-(trifluoromethoxy)indol-2-yl]methanol
CID 118967091
[1-[(3-Chlorophenyl)methyl]-3-(6-methoxypyridin-3-yl)-5-(trifluoromethoxy)indol-2-yl]methanol
CID 118967103
[1-[(2-Chlorophenyl)methyl]-3-pyridin-4-yl-5-(trifluoromethoxy)indol-2-yl]methanol
CID 118971160
[1-[(2-Chlorophenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-methoxyindol-2-yl]methanol
CID 118967159
[1-[(2-Chlorophenyl)methyl]-3-(6-fluoropyridin-3-yl)-5-(trifluoromethoxy)indol-2-yl]methanol
CID 118971190
1-[(2-Chlorophenyl)methyl]-2-ethyl-3-(6-methoxy-3-pyridinyl)-6-methylindole;1-[(2-chlorophenyl)methyl]-2-ethyl-6-methyl-3-(2-methylsulfanylpyrimidin-5-yl)indole;2-ethyl-1-[(3-methoxyphenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)indole;[1-[(2-fluoro-4-methylphenyl)methyl]-5-methoxy-3-pyridin-4-ylindol-2-yl]methanol
CID 157734095
1-Butyl-5-[[4-[(4-chloro-2-methylphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole
CID 158686778
2-[8-(2-aminoethoxy)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-1-pyridin-4-ylethanol;2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;5-(2-hydroxy-2-pyridin-3-ylethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-4-ol
CID 158982563
[1-[(3-Bromophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(3-fluorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(3-methoxyphenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[3-phenyl-1-[[3-(trifluoromethoxy)phenyl]methyl]-5-(trifluoromethyl)indol-2-yl]methanol
CID 159127608
1-Butyl-5-[[4-[(2-chloro-5-fluorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;[2-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanamine;1-butyl-5-[[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-3-[4-(trifluoromethoxy)phenyl]-5-[[4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]indole
CID 159190674
2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]ethanol
CID 159195073
[1-Benzyl-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(3-bromophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(3-fluoro-5-methylphenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(2-fluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol
CID 159542441

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chlorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(3-chlorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(2-fluorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(3-methoxyphenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)indol-2-yl]methanol?
The IUPAC name of [1-[(2-chlorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(3-chlorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(2-fluorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(3-methoxyphenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)indol-2-yl]methanol (CID 160567817) is [1-[(2-chlorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(3-chlorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(2-fluorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(3-methoxyphenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)indol-2-yl]methanol.
What is the SMILES notation for [1-[(2-chlorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(3-chlorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(2-fluorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(3-methoxyphenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)indol-2-yl]methanol?
The canonical SMILES for [1-[(2-chlorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(3-chlorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(2-fluorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(3-methoxyphenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)indol-2-yl]methanol is COc1cccc(Cn2c(CO)c(-c3ccc(OC)nc3)c3cc(C(F)(F)F)ccc32)c1.OCc1c(-c2ccccc2)c2cc(C(F)(F)F)ccc2n1Cc1cccc(Cl)c1.OCc1c(-c2ccccc2)c2cc(C(F)(F)F)ccc2n1Cc1ccccc1Cl.OCc1c(-c2ccccc2)c2cc(C(F)(F)F)ccc2n1Cc1ccccc1F.
What is the InChIKey of [1-[(2-chlorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(3-chlorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(2-fluorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(3-methoxyphenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)indol-2-yl]methanol?
The InChIKey is RADRIEMBSGZEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N2O3.2C23H17ClF3NO.C23H17F4NO/c1-31-18-5-3-4-15(10-18)13-29-20-8-7-17(24(25,26)27)11-19(20)23(21(29)14-30)16-6-9-22(32-2)28-12-16;24-18-8-4-5-15(11-18)13-28-20-10-9-17(23(25,26)27)12-19(20)22(21(28)14-29)16-6-2-1-3-7-16;2*24-19-9-5-4-8-16(19)13-28-20-11-10-17(23(25,26)27)12-18(20)22(21(28)14-29)15-6-2-1-3-7-15/h3-12,30H,13-14H2,1-2H3;3*1-12,29H,13-14H2.
What are the key properties of [1-[(2-chlorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(3-chlorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(2-fluorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(3-methoxyphenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)indol-2-yl]methanol?
[1-[(2-chlorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(3-chlorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(2-fluorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(3-methoxyphenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)indol-2-yl]methanol has a molecular weight of 1673.51 g/mol, XLogP of 24.33, 18 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chlorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(3-chlorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(2-fluorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(3-methoxyphenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)indol-2-yl]methanol is sourced from PubChem (CID 160567817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).