[3-[2-[3-[7-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methyl]indazol-3-yl]phenyl]ethyl]phenyl]methanol

C30H22F6N2O — CID 87240459

IUPAC[3-[2-[3-[7-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methyl]indazol-3-yl]phenyl]ethyl]phenyl]methanol
SMILESOCc1cccc(CCc2cccc(-c3c4cccc(C(F)(F)F)c4nn3Cc3c(F)cc(F)cc3F)c2)c1
InChIInChI=1S/C30H22F6N2O/c31-22-14-26(32)24(27(33)15-22)16-38-29(23-8-3-9-25(28(23)37-38)30(34,35)36)21-7-2-5-19(13-21)11-10-18-4-1-6-20(12-18)17-39/h1-9,12-15,39H,10-11,16-17H2
InChIKeyBZQJEAZNKLYVSF-UHFFFAOYSA-N
MW540.51 g/mol
LogP7.47
Rot. Bonds7

About [3-[2-[3-[7-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methyl]indazol-3-yl]phenyl]ethyl]phenyl]methanol

[3-[2-[3-[7-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methyl]indazol-3-yl]phenyl]ethyl]phenyl]methanol (PubChem CID 87240459) has the molecular formula C30H22F6N2O and a molecular weight of 540.51 g/mol. Its IUPAC name is [3-[2-[3-[7-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methyl]indazol-3-yl]phenyl]ethyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[2-[3-[7-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methyl]indazol-3-yl]phenyl]ethyl]phenyl]methanol
PubChem CID87240459
Molecular FormulaC30H22F6N2O
Molecular Weight540.51 g/mol
Exact Mass540.16
IUPAC Name[3-[2-[3-[7-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methyl]indazol-3-yl]phenyl]ethyl]phenyl]methanol
SMILESOCc1cccc(CCc2cccc(-c3c4cccc(C(F)(F)F)c4nn3Cc3c(F)cc(F)cc3F)c2)c1
InChIInChI=1S/C30H22F6N2O/c31-22-14-26(32)24(27(33)15-22)16-38-29(23-8-3-9-25(28(23)37-38)30(34,35)36)21-7-2-5-19(13-21)11-10-18-4-1-6-20(12-18)17-39/h1-9,12-15,39H,10-11,16-17H2
InChIKeyBZQJEAZNKLYVSF-UHFFFAOYSA-N
XLogP7.47
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.51
LogP ≤ 57.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[2-[3-[7-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methyl]indazol-3-yl]phenyl]ethyl]phenyl]methanol?
The IUPAC name of [3-[2-[3-[7-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methyl]indazol-3-yl]phenyl]ethyl]phenyl]methanol (CID 87240459) is [3-[2-[3-[7-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methyl]indazol-3-yl]phenyl]ethyl]phenyl]methanol.
What is the SMILES notation for [3-[2-[3-[7-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methyl]indazol-3-yl]phenyl]ethyl]phenyl]methanol?
The canonical SMILES for [3-[2-[3-[7-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methyl]indazol-3-yl]phenyl]ethyl]phenyl]methanol is OCc1cccc(CCc2cccc(-c3c4cccc(C(F)(F)F)c4nn3Cc3c(F)cc(F)cc3F)c2)c1.
What is the InChIKey of [3-[2-[3-[7-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methyl]indazol-3-yl]phenyl]ethyl]phenyl]methanol?
The InChIKey is BZQJEAZNKLYVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22F6N2O/c31-22-14-26(32)24(27(33)15-22)16-38-29(23-8-3-9-25(28(23)37-38)30(34,35)36)21-7-2-5-19(13-21)11-10-18-4-1-6-20(12-18)17-39/h1-9,12-15,39H,10-11,16-17H2.
What are the key properties of [3-[2-[3-[7-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methyl]indazol-3-yl]phenyl]ethyl]phenyl]methanol?
[3-[2-[3-[7-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methyl]indazol-3-yl]phenyl]ethyl]phenyl]methanol has a molecular weight of 540.51 g/mol, XLogP of 7.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[3-[7-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methyl]indazol-3-yl]phenyl]ethyl]phenyl]methanol is sourced from PubChem (CID 87240459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).