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

C32H22F6N2O — CID 58620927

IUPAC2-[[3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-5-(6-pyridin-2-yl-2-pyridinyl)phenyl]methyl]phenol
SMILESCc1cc(C(F)(F)F)c(-c2cc(Cc3ccccc3O)cc(-c3cccc(-c4ccccn4)n3)c2)c(C(F)(F)F)c1
InChIInChI=1S/C32H22F6N2O/c1-19-13-24(31(33,34)35)30(25(14-19)32(36,37)38)23-17-20(15-21-7-2-3-11-29(21)41)16-22(18-23)26-9-6-10-28(40-26)27-8-4-5-12-39-27/h2-14,16-18,41H,15H2,1H3
InChIKeyCHXQMYYYFSZSAR-UHFFFAOYSA-N
MW564.53 g/mol
LogP9.12
Rot. Bonds5

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

2-[[3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-5-(6-pyridin-2-yl-2-pyridinyl)phenyl]methyl]phenol (PubChem CID 58620927) has the molecular formula C32H22F6N2O and a molecular weight of 564.53 g/mol. Its IUPAC name is 2-[[3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-5-(6-pyridin-2-yl-2-pyridinyl)phenyl]methyl]phenol.

Molecular Properties

Compound Name2-[[3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-5-(6-pyridin-2-yl-2-pyridinyl)phenyl]methyl]phenol
PubChem CID58620927
Molecular FormulaC32H22F6N2O
Molecular Weight564.53 g/mol
Exact Mass564.16
IUPAC Name2-[[3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-5-(6-pyridin-2-yl-2-pyridinyl)phenyl]methyl]phenol
SMILESCc1cc(C(F)(F)F)c(-c2cc(Cc3ccccc3O)cc(-c3cccc(-c4ccccn4)n3)c2)c(C(F)(F)F)c1
InChIInChI=1S/C32H22F6N2O/c1-19-13-24(31(33,34)35)30(25(14-19)32(36,37)38)23-17-20(15-21-7-2-3-11-29(21)41)16-22(18-23)26-9-6-10-28(40-26)27-8-4-5-12-39-27/h2-14,16-18,41H,15H2,1H3
InChIKeyCHXQMYYYFSZSAR-UHFFFAOYSA-N
XLogP9.12
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.53
LogP ≤ 59.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Fluoro-4-[5-(pyridin-4-yl)-7,8-dihydronaphthalen-2-yl]phenol
CID 25033805
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
4-(2-Phenyl-6-pyridin-4-yl-4-pyridinyl)phenol
CID 136086715
2-Allyl-4-[(3-allyl-4-hydroxy-phenyl)-(2-pyridyl)methyl]phenol
CID 42634112

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-5-(6-pyridin-2-yl-2-pyridinyl)phenyl]methyl]phenol?
The IUPAC name of 2-[[3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-5-(6-pyridin-2-yl-2-pyridinyl)phenyl]methyl]phenol (CID 58620927) is 2-[[3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-5-(6-pyridin-2-yl-2-pyridinyl)phenyl]methyl]phenol.
What is the SMILES notation for 2-[[3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-5-(6-pyridin-2-yl-2-pyridinyl)phenyl]methyl]phenol?
The canonical SMILES for 2-[[3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-5-(6-pyridin-2-yl-2-pyridinyl)phenyl]methyl]phenol is Cc1cc(C(F)(F)F)c(-c2cc(Cc3ccccc3O)cc(-c3cccc(-c4ccccn4)n3)c2)c(C(F)(F)F)c1.
What is the InChIKey of 2-[[3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-5-(6-pyridin-2-yl-2-pyridinyl)phenyl]methyl]phenol?
The InChIKey is CHXQMYYYFSZSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22F6N2O/c1-19-13-24(31(33,34)35)30(25(14-19)32(36,37)38)23-17-20(15-21-7-2-3-11-29(21)41)16-22(18-23)26-9-6-10-28(40-26)27-8-4-5-12-39-27/h2-14,16-18,41H,15H2,1H3.
What are the key properties of 2-[[3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-5-(6-pyridin-2-yl-2-pyridinyl)phenyl]methyl]phenol?
2-[[3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-5-(6-pyridin-2-yl-2-pyridinyl)phenyl]methyl]phenol has a molecular weight of 564.53 g/mol, XLogP of 9.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-5-(6-pyridin-2-yl-2-pyridinyl)phenyl]methyl]phenol is sourced from PubChem (CID 58620927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).