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

C29H22N2O — CID 164742350

IUPAC2-benzyl-6-[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenol
SMILESOc1c(Cc2ccccc2)cccc1-c1cccc(-c2cccc(-c3ccccn3)c2)n1
InChIInChI=1S/C29H22N2O/c32-29-24(19-21-9-2-1-3-10-21)13-7-14-25(29)28-17-8-16-27(31-28)23-12-6-11-22(20-23)26-15-4-5-18-30-26/h1-18,20,32H,19H2
InChIKeyYQFHWBXSNBZSSB-UHFFFAOYSA-N
MW414.51 g/mol
LogP6.77
Rot. Bonds5

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

2-benzyl-6-[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenol (PubChem CID 164742350) has the molecular formula C29H22N2O and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-benzyl-6-[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenol.

Molecular Properties

Compound Name2-benzyl-6-[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenol
PubChem CID164742350
Molecular FormulaC29H22N2O
Molecular Weight414.51 g/mol
Exact Mass414.17
IUPAC Name2-benzyl-6-[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenol
SMILESOc1c(Cc2ccccc2)cccc1-c1cccc(-c2cccc(-c3ccccn3)c2)n1
InChIInChI=1S/C29H22N2O/c32-29-24(19-21-9-2-1-3-10-21)13-7-14-25(29)28-17-8-16-27(31-28)23-12-6-11-22(20-23)26-15-4-5-18-30-26/h1-18,20,32H,19H2
InChIKeyYQFHWBXSNBZSSB-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-[6-(3-benzyl-5-pyridin-2-ylphenyl)-2-pyridinyl]phenol
CID 164743046
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-[3-[3-[3-[2-(naphthalen-1-ylmethyl)phenyl]phenyl]phenyl]phenyl]pyridine
CID 163572146
2,6-diphenyl-4-[3-(3-pyridin-2-ylphenyl)phenyl]pyridine
CID 140587116
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
2-(2-phenyl-6-pyridin-2-ylbenzimidazol-1-yl)-6-pyridin-2-ylphenol
CID 140889802
2-benzyl-4-pyridin-2-ylbenzonitrile
CID 162707729
2-phenyl-N-[(3-pyridin-2-ylphenyl)methyl]aniline
CID 140871795
2-[6-(3-hydroxyphenyl)-4-pyridin-2-yl-2-pyridinyl]phenol
CID 137091036
2,4,6-tris[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine
CID 58090473

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenol?
The IUPAC name of 2-benzyl-6-[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenol (CID 164742350) is 2-benzyl-6-[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenol.
What is the SMILES notation for 2-benzyl-6-[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenol?
The canonical SMILES for 2-benzyl-6-[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenol is Oc1c(Cc2ccccc2)cccc1-c1cccc(-c2cccc(-c3ccccn3)c2)n1.
What is the InChIKey of 2-benzyl-6-[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenol?
The InChIKey is YQFHWBXSNBZSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2O/c32-29-24(19-21-9-2-1-3-10-21)13-7-14-25(29)28-17-8-16-27(31-28)23-12-6-11-22(20-23)26-15-4-5-18-30-26/h1-18,20,32H,19H2.
What are the key properties of 2-benzyl-6-[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenol?
2-benzyl-6-[6-(3-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-benzyl-6-[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenol is sourced from PubChem (CID 164742350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).