phenyl-bis(6-pyridin-2-yl-2-pyridinyl)methanol

C27H20N4O — CID 132529947

IUPACphenyl-bis(6-pyridin-2-yl-2-pyridinyl)methanol
SMILESOC(c1ccccc1)(c1cccc(-c2ccccn2)n1)c1cccc(-c2ccccn2)n1
InChIInChI=1S/C27H20N4O/c32-27(20-10-2-1-3-11-20,25-16-8-14-23(30-25)21-12-4-6-18-28-21)26-17-9-15-24(31-26)22-13-5-7-19-29-22/h1-19,32H
InChIKeyJSZJCDLBKRKJEE-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.88
Rot. Bonds5

About phenyl-bis(6-pyridin-2-yl-2-pyridinyl)methanol

phenyl-bis(6-pyridin-2-yl-2-pyridinyl)methanol (PubChem CID 132529947) has the molecular formula C27H20N4O and a molecular weight of 416.48 g/mol. Its IUPAC name is phenyl-bis(6-pyridin-2-yl-2-pyridinyl)methanol.

Molecular Properties

Compound Namephenyl-bis(6-pyridin-2-yl-2-pyridinyl)methanol
PubChem CID132529947
Molecular FormulaC27H20N4O
Molecular Weight416.48 g/mol
Exact Mass416.16
IUPAC Namephenyl-bis(6-pyridin-2-yl-2-pyridinyl)methanol
SMILESOC(c1ccccc1)(c1cccc(-c2ccccn2)n1)c1cccc(-c2ccccn2)n1
InChIInChI=1S/C27H20N4O/c32-27(20-10-2-1-3-11-20,25-16-8-14-23(30-25)21-12-4-6-18-28-21)26-17-9-15-24(31-26)22-13-5-7-19-29-22/h1-19,32H
InChIKeyJSZJCDLBKRKJEE-UHFFFAOYSA-N
XLogP4.88
TPSA71.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of phenyl-bis(6-pyridin-2-yl-2-pyridinyl)methanol?
The IUPAC name of phenyl-bis(6-pyridin-2-yl-2-pyridinyl)methanol (CID 132529947) is phenyl-bis(6-pyridin-2-yl-2-pyridinyl)methanol.
What is the SMILES notation for phenyl-bis(6-pyridin-2-yl-2-pyridinyl)methanol?
The canonical SMILES for phenyl-bis(6-pyridin-2-yl-2-pyridinyl)methanol is OC(c1ccccc1)(c1cccc(-c2ccccn2)n1)c1cccc(-c2ccccn2)n1.
What is the InChIKey of phenyl-bis(6-pyridin-2-yl-2-pyridinyl)methanol?
The InChIKey is JSZJCDLBKRKJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N4O/c32-27(20-10-2-1-3-11-20,25-16-8-14-23(30-25)21-12-4-6-18-28-21)26-17-9-15-24(31-26)22-13-5-7-19-29-22/h1-19,32H.
What are the key properties of phenyl-bis(6-pyridin-2-yl-2-pyridinyl)methanol?
phenyl-bis(6-pyridin-2-yl-2-pyridinyl)methanol has a molecular weight of 416.48 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-bis(6-pyridin-2-yl-2-pyridinyl)methanol is sourced from PubChem (CID 132529947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).