2-[6-(3-benzyl-5-pyridin-2-ylphenyl)-2-pyridinyl]phenol

C29H22N2O — CID 164743046

IUPAC2-[6-(3-benzyl-5-pyridin-2-ylphenyl)-2-pyridinyl]phenol
SMILESOc1ccccc1-c1cccc(-c2cc(Cc3ccccc3)cc(-c3ccccn3)c2)n1
InChIInChI=1S/C29H22N2O/c32-29-15-5-4-11-25(29)28-14-8-13-27(31-28)24-19-22(17-21-9-2-1-3-10-21)18-23(20-24)26-12-6-7-16-30-26/h1-16,18-20,32H,17H2
InChIKeySXCRHHFPASTUBM-UHFFFAOYSA-N
MW414.51 g/mol
LogP6.77
Rot. Bonds5

About 2-[6-(3-benzyl-5-pyridin-2-ylphenyl)-2-pyridinyl]phenol

2-[6-(3-benzyl-5-pyridin-2-ylphenyl)-2-pyridinyl]phenol (PubChem CID 164743046) has the molecular formula C29H22N2O and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-[6-(3-benzyl-5-pyridin-2-ylphenyl)-2-pyridinyl]phenol.

Molecular Properties

Compound Name2-[6-(3-benzyl-5-pyridin-2-ylphenyl)-2-pyridinyl]phenol
PubChem CID164743046
Molecular FormulaC29H22N2O
Molecular Weight414.51 g/mol
Exact Mass414.17
IUPAC Name2-[6-(3-benzyl-5-pyridin-2-ylphenyl)-2-pyridinyl]phenol
SMILESOc1ccccc1-c1cccc(-c2cc(Cc3ccccc3)cc(-c3ccccn3)c2)n1
InChIInChI=1S/C29H22N2O/c32-29-15-5-4-11-25(29)28-14-8-13-27(31-28)24-19-22(17-21-9-2-1-3-10-21)18-23(20-24)26-12-6-7-16-30-26/h1-16,18-20,32H,17H2
InChIKeySXCRHHFPASTUBM-UHFFFAOYSA-N
XLogP6.77
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-6-[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenol
CID 164742350
4-benzyl-2-pyridin-2-ylphenol
CID 141478929
2-[6-(3-hydroxyphenyl)-4-pyridin-2-yl-2-pyridinyl]phenol
CID 137091036
2-[3,5-bis[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine
CID 102128660
2-[7-benzyl-4-(3-pyridin-2-ylphenyl)-1,3-benzoxazol-2-yl]phenol
CID 164742910
2-[3-(2-phenylphenyl)phenyl]pyridine
CID 59403973
2-pyridin-2-ylphenol;hydrate
CID 175244966
2-[1-(4-benzylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 164742712
2-[3-[2-[2-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-5-pyridin-2-ylphenyl]pyridine
CID 71534257
2-[3,5-bis(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine;3-[3,5-bis(5-pyridin-2-yl-3-pyridinyl)phenyl]-5-pyridin-2-ylpyridine;2-[3,5-bis[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]-6-(6-pyridin-2-yl-2-pyridinyl)pyridine
CID 162168148
4-[6-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-2-pyridinyl]-2-pyridinyl]-2,6-dipyridin-2-ylpyridine
CID 171935887
2-[3-[6-[diphenyl(pyridin-2-yl)methyl]-2-pyridinyl]phenyl]phenol
CID 140805992

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-benzyl-5-pyridin-2-ylphenyl)-2-pyridinyl]phenol?
The IUPAC name of 2-[6-(3-benzyl-5-pyridin-2-ylphenyl)-2-pyridinyl]phenol (CID 164743046) is 2-[6-(3-benzyl-5-pyridin-2-ylphenyl)-2-pyridinyl]phenol.
What is the SMILES notation for 2-[6-(3-benzyl-5-pyridin-2-ylphenyl)-2-pyridinyl]phenol?
The canonical SMILES for 2-[6-(3-benzyl-5-pyridin-2-ylphenyl)-2-pyridinyl]phenol is Oc1ccccc1-c1cccc(-c2cc(Cc3ccccc3)cc(-c3ccccn3)c2)n1.
What is the InChIKey of 2-[6-(3-benzyl-5-pyridin-2-ylphenyl)-2-pyridinyl]phenol?
The InChIKey is SXCRHHFPASTUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2O/c32-29-15-5-4-11-25(29)28-14-8-13-27(31-28)24-19-22(17-21-9-2-1-3-10-21)18-23(20-24)26-12-6-7-16-30-26/h1-16,18-20,32H,17H2.
What are the key properties of 2-[6-(3-benzyl-5-pyridin-2-ylphenyl)-2-pyridinyl]phenol?
2-[6-(3-benzyl-5-pyridin-2-ylphenyl)-2-pyridinyl]phenol has a molecular weight of 414.51 g/mol, XLogP of 6.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-benzyl-5-pyridin-2-ylphenyl)-2-pyridinyl]phenol is sourced from PubChem (CID 164743046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).