1,1-bis(3-pyridin-2-ylphenyl)propan-2-ol

C25H22N2O — CID 69334172

IUPAC1,1-bis(3-pyridin-2-ylphenyl)propan-2-ol
SMILESCC(O)C(c1cccc(-c2ccccn2)c1)c1cccc(-c2ccccn2)c1
InChIInChI=1S/C25H22N2O/c1-18(28)25(21-10-6-8-19(16-21)23-12-2-4-14-26-23)22-11-7-9-20(17-22)24-13-3-5-15-27-24/h2-18,25,28H,1H3
InChIKeySYBQHDIGDNLCAH-UHFFFAOYSA-N
MW366.46 g/mol
LogP5.32
Rot. Bonds5

About 1,1-bis(3-pyridin-2-ylphenyl)propan-2-ol

1,1-bis(3-pyridin-2-ylphenyl)propan-2-ol (PubChem CID 69334172) has the molecular formula C25H22N2O and a molecular weight of 366.46 g/mol. Its IUPAC name is 1,1-bis(3-pyridin-2-ylphenyl)propan-2-ol.

Molecular Properties

Compound Name1,1-bis(3-pyridin-2-ylphenyl)propan-2-ol
PubChem CID69334172
Molecular FormulaC25H22N2O
Molecular Weight366.46 g/mol
Exact Mass366.17
IUPAC Name1,1-bis(3-pyridin-2-ylphenyl)propan-2-ol
SMILESCC(O)C(c1cccc(-c2ccccn2)c1)c1cccc(-c2ccccn2)c1
InChIInChI=1S/C25H22N2O/c1-18(28)25(21-10-6-8-19(16-21)23-12-2-4-14-26-23)22-11-7-9-20(17-22)24-13-3-5-15-27-24/h2-18,25,28H,1H3
InChIKeySYBQHDIGDNLCAH-UHFFFAOYSA-N
XLogP5.32
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(3-pyridin-2-ylphenyl)propan-2-ol?
The IUPAC name of 1,1-bis(3-pyridin-2-ylphenyl)propan-2-ol (CID 69334172) is 1,1-bis(3-pyridin-2-ylphenyl)propan-2-ol.
What is the SMILES notation for 1,1-bis(3-pyridin-2-ylphenyl)propan-2-ol?
The canonical SMILES for 1,1-bis(3-pyridin-2-ylphenyl)propan-2-ol is CC(O)C(c1cccc(-c2ccccn2)c1)c1cccc(-c2ccccn2)c1.
What is the InChIKey of 1,1-bis(3-pyridin-2-ylphenyl)propan-2-ol?
The InChIKey is SYBQHDIGDNLCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O/c1-18(28)25(21-10-6-8-19(16-21)23-12-2-4-14-26-23)22-11-7-9-20(17-22)24-13-3-5-15-27-24/h2-18,25,28H,1H3.
What are the key properties of 1,1-bis(3-pyridin-2-ylphenyl)propan-2-ol?
1,1-bis(3-pyridin-2-ylphenyl)propan-2-ol has a molecular weight of 366.46 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(3-pyridin-2-ylphenyl)propan-2-ol is sourced from PubChem (CID 69334172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).