[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

C94H71BrF16N4O6 — CID 159127608

About [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

[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 (PubChem CID 159127608) has the molecular formula C94H71BrF16N4O6 and a molecular weight of 1736.50 g/mol. Its IUPAC name is [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.

Molecular Properties

• Compound Name: [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
• PubChem CID: 159127608
• Molecular Formula: C94H71BrF16N4O6
• Molecular Weight: 1736.50 g/mol
• Exact Mass: 1734.43
• IUPAC Name: [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
• SMILES: COc1cccc(Cn2c(CO)c(-c3ccccc3)c3cc(C(F)(F)F)ccc32)c1.OCc1c(-c2ccccc2)c2cc(C(F)(F)F)ccc2n1Cc1cccc(Br)c1.OCc1c(-c2ccccc2)c2cc(C(F)(F)F)ccc2n1Cc1cccc(F)c1.OCc1c(-c2ccccc2)c2cc(C(F)(F)F)ccc2n1Cc1cccc(OC(F)(F)F)c1
• InChI: InChI=1S/C24H17F6NO2.C24H20F3NO2.C23H17BrF3NO.C23H17F4NO/c25-23(26,27)17-9-10-20-19(12-17)22(16-6-2-1-3-7-16)21(14-32)31(20)13-15-5-4-8-18(11-15)33-24(28,29)30;1-30-19-9-5-6-16(12-19)14-28-21-11-10-18(24(25,26)27)13-20(21)23(22(28)15-29)17-7-3-2-4-8-17;2*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/h1-12,32H,13-14H2;2-13,29H,14-15H2,1H3;2*1-12,29H,13-14H2
• InChIKey: KGMCPVQRJRZOSD-UHFFFAOYSA-N
• XLogP: 25.28
• TPSA: 119.10 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 18
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1736.50
LogP ≤ 5	25.28
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [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?

The IUPAC name of [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) is [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.

What is the SMILES notation for [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?

The canonical SMILES for [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 is COc1cccc(Cn2c(CO)c(-c3ccccc3)c3cc(C(F)(F)F)ccc32)c1.OCc1c(-c2ccccc2)c2cc(C(F)(F)F)ccc2n1Cc1cccc(Br)c1.OCc1c(-c2ccccc2)c2cc(C(F)(F)F)ccc2n1Cc1cccc(F)c1.OCc1c(-c2ccccc2)c2cc(C(F)(F)F)ccc2n1Cc1cccc(OC(F)(F)F)c1.

What is the InChIKey of [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?

The InChIKey is KGMCPVQRJRZOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F6NO2.C24H20F3NO2.C23H17BrF3NO.C23H17F4NO/c25-23(26,27)17-9-10-20-19(12-17)22(16-6-2-1-3-7-16)21(14-32)31(20)13-15-5-4-8-18(11-15)33-24(28,29)30;1-30-19-9-5-6-16(12-19)14-28-21-11-10-18(24(25,26)27)13-20(21)23(22(28)15-29)17-7-3-2-4-8-17;2*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/h1-12,32H,13-14H2;2-13,29H,14-15H2,1H3;2*1-12,29H,13-14H2.

What are the key properties of [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?

[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 has a molecular weight of 1736.50 g/mol, XLogP of 25.28, 18 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [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 is sourced from PubChem (CID 159127608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).