2-[[3-(6-pyridin-2-yl-2-pyridinyl)-5-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]methyl]phenol

C32H19F9N2O — CID 58004340

IUPAC2-[[3-(6-pyridin-2-yl-2-pyridinyl)-5-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]methyl]phenol
SMILESOc1ccccc1Cc1cc(-c2cccc(-c3ccccn3)n2)cc(-c2c(C(F)(F)F)cc(C(F)(F)F)cc2C(F)(F)F)c1
InChIInChI=1S/C32H19F9N2O/c33-30(34,35)22-16-23(31(36,37)38)29(24(17-22)32(39,40)41)21-14-18(12-19-6-1-2-10-28(19)44)13-20(15-21)25-8-5-9-27(43-25)26-7-3-4-11-42-26/h1-11,13-17,44H,12H2
InChIKeySIMGCMAPYGIKIN-UHFFFAOYSA-N
MW618.50 g/mol
LogP9.83
Rot. Bonds5

About 2-[[3-(6-pyridin-2-yl-2-pyridinyl)-5-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]methyl]phenol

2-[[3-(6-pyridin-2-yl-2-pyridinyl)-5-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]methyl]phenol (PubChem CID 58004340) has the molecular formula C32H19F9N2O and a molecular weight of 618.50 g/mol. Its IUPAC name is 2-[[3-(6-pyridin-2-yl-2-pyridinyl)-5-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]methyl]phenol.

Molecular Properties

Compound Name2-[[3-(6-pyridin-2-yl-2-pyridinyl)-5-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]methyl]phenol
PubChem CID58004340
Molecular FormulaC32H19F9N2O
Molecular Weight618.50 g/mol
Exact Mass618.14
IUPAC Name2-[[3-(6-pyridin-2-yl-2-pyridinyl)-5-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]methyl]phenol
SMILESOc1ccccc1Cc1cc(-c2cccc(-c3ccccn3)n2)cc(-c2c(C(F)(F)F)cc(C(F)(F)F)cc2C(F)(F)F)c1
InChIInChI=1S/C32H19F9N2O/c33-30(34,35)22-16-23(31(36,37)38)29(24(17-22)32(39,40)41)21-14-18(12-19-6-1-2-10-28(19)44)13-20(15-21)25-8-5-9-27(43-25)26-7-3-4-11-42-26/h1-11,13-17,44H,12H2
InChIKeySIMGCMAPYGIKIN-UHFFFAOYSA-N
XLogP9.83
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.50
LogP ≤ 59.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[3-(6-pyridin-2-yl-2-pyridinyl)-5-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]methyl]phenol with MolForge

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Related Compounds

2-Fluoro-4-[5-(pyridin-4-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]phenol
CID 25033811
2-Fluoro-4-[5-(pyridin-4-yl)-7,8-dihydronaphthalen-2-yl]phenol
CID 25033805
2-Fluoro-4-(5-pyridin-4-yl-7,8-dihydronaphthalen-2-yl)phenol;hydrobromide
CID 25033804
1,1,1,3,3,3-Hexafluoro-2-(2-methyl-4'-((4-(pyridin-4-ylmethyl)piperazin-1-yl)methyl)-[1,1'-biphenyl]-4-yl)propan-2-ol
CID 51035446
1,1,1,3,3,3-Hexafluoro-2-[4-[2-methyl-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol
CID 71470724
3-(4-Phenyl-6-pyridin-4-yl-2-pyridinyl)phenol
CID 46861757
3-(2-Phenyl-6-pyridin-4-yl-4-pyridinyl)phenol
CID 46887284
2-Pyridin-2-ylmethyl-naphthalen-1-ol
CID 15617857
4-[6-(4-Hydroxyphenyl)-4-pyridin-3-yl-2-pyridinyl]phenol
CID 137091044
6-[(4-Fluorophenyl)-piperidin-1-ylmethyl]isoquinolin-5-ol
CID 162656852
3-[3-methyl-5-[3-[(E)-2-phenylethenyl]-5-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]phenol
CID 118352515
4-(4-Phenyl-6-pyridin-3-yl-2-pyridinyl)phenol
CID 136086714

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(6-pyridin-2-yl-2-pyridinyl)-5-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]methyl]phenol?
The IUPAC name of 2-[[3-(6-pyridin-2-yl-2-pyridinyl)-5-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]methyl]phenol (CID 58004340) is 2-[[3-(6-pyridin-2-yl-2-pyridinyl)-5-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]methyl]phenol.
What is the SMILES notation for 2-[[3-(6-pyridin-2-yl-2-pyridinyl)-5-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]methyl]phenol?
The canonical SMILES for 2-[[3-(6-pyridin-2-yl-2-pyridinyl)-5-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]methyl]phenol is Oc1ccccc1Cc1cc(-c2cccc(-c3ccccn3)n2)cc(-c2c(C(F)(F)F)cc(C(F)(F)F)cc2C(F)(F)F)c1.
What is the InChIKey of 2-[[3-(6-pyridin-2-yl-2-pyridinyl)-5-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]methyl]phenol?
The InChIKey is SIMGCMAPYGIKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19F9N2O/c33-30(34,35)22-16-23(31(36,37)38)29(24(17-22)32(39,40)41)21-14-18(12-19-6-1-2-10-28(19)44)13-20(15-21)25-8-5-9-27(43-25)26-7-3-4-11-42-26/h1-11,13-17,44H,12H2.
What are the key properties of 2-[[3-(6-pyridin-2-yl-2-pyridinyl)-5-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]methyl]phenol?
2-[[3-(6-pyridin-2-yl-2-pyridinyl)-5-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]methyl]phenol has a molecular weight of 618.50 g/mol, XLogP of 9.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(6-pyridin-2-yl-2-pyridinyl)-5-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]methyl]phenol is sourced from PubChem (CID 58004340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).