2-[3-[6-[diphenyl(pyridin-2-yl)methyl]-2-pyridinyl]phenyl]phenol

C35H26N2O — CID 140805992

IUPAC2-[3-[6-[diphenyl(pyridin-2-yl)methyl]-2-pyridinyl]phenyl]phenol
SMILESOc1ccccc1-c1cccc(-c2cccc(C(c3ccccc3)(c3ccccc3)c3ccccn3)n2)c1
InChIInChI=1S/C35H26N2O/c38-32-21-8-7-19-30(32)26-13-11-14-27(25-26)31-20-12-23-34(37-31)35(28-15-3-1-4-16-28,29-17-5-2-6-18-29)33-22-9-10-24-36-33/h1-25,38H
InChIKeyXZGRWLNUEPRFGS-UHFFFAOYSA-N
MW490.61 g/mol
LogP7.90
Rot. Bonds6

About 2-[3-[6-[diphenyl(pyridin-2-yl)methyl]-2-pyridinyl]phenyl]phenol

2-[3-[6-[diphenyl(pyridin-2-yl)methyl]-2-pyridinyl]phenyl]phenol (PubChem CID 140805992) has the molecular formula C35H26N2O and a molecular weight of 490.61 g/mol. Its IUPAC name is 2-[3-[6-[diphenyl(pyridin-2-yl)methyl]-2-pyridinyl]phenyl]phenol.

Molecular Properties

Compound Name2-[3-[6-[diphenyl(pyridin-2-yl)methyl]-2-pyridinyl]phenyl]phenol
PubChem CID140805992
Molecular FormulaC35H26N2O
Molecular Weight490.61 g/mol
Exact Mass490.20
IUPAC Name2-[3-[6-[diphenyl(pyridin-2-yl)methyl]-2-pyridinyl]phenyl]phenol
SMILESOc1ccccc1-c1cccc(-c2cccc(C(c3ccccc3)(c3ccccc3)c3ccccn3)n2)c1
InChIInChI=1S/C35H26N2O/c38-32-21-8-7-19-30(32)26-13-11-14-27(25-26)31-20-12-23-34(37-31)35(28-15-3-1-4-16-28,29-17-5-2-6-18-29)33-22-9-10-24-36-33/h1-25,38H
InChIKeyXZGRWLNUEPRFGS-UHFFFAOYSA-N
XLogP7.90
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms38
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.61
LogP ≤ 57.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-[diphenyl(pyridin-2-yl)methyl]-2-pyridinyl]phenyl]phenol?
The IUPAC name of 2-[3-[6-[diphenyl(pyridin-2-yl)methyl]-2-pyridinyl]phenyl]phenol (CID 140805992) is 2-[3-[6-[diphenyl(pyridin-2-yl)methyl]-2-pyridinyl]phenyl]phenol.
What is the SMILES notation for 2-[3-[6-[diphenyl(pyridin-2-yl)methyl]-2-pyridinyl]phenyl]phenol?
The canonical SMILES for 2-[3-[6-[diphenyl(pyridin-2-yl)methyl]-2-pyridinyl]phenyl]phenol is Oc1ccccc1-c1cccc(-c2cccc(C(c3ccccc3)(c3ccccc3)c3ccccn3)n2)c1.
What is the InChIKey of 2-[3-[6-[diphenyl(pyridin-2-yl)methyl]-2-pyridinyl]phenyl]phenol?
The InChIKey is XZGRWLNUEPRFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26N2O/c38-32-21-8-7-19-30(32)26-13-11-14-27(25-26)31-20-12-23-34(37-31)35(28-15-3-1-4-16-28,29-17-5-2-6-18-29)33-22-9-10-24-36-33/h1-25,38H.
What are the key properties of 2-[3-[6-[diphenyl(pyridin-2-yl)methyl]-2-pyridinyl]phenyl]phenol?
2-[3-[6-[diphenyl(pyridin-2-yl)methyl]-2-pyridinyl]phenyl]phenol has a molecular weight of 490.61 g/mol, XLogP of 7.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-[diphenyl(pyridin-2-yl)methyl]-2-pyridinyl]phenyl]phenol is sourced from PubChem (CID 140805992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).