3-hydroxybenzoic acid;bis(4-phenylpyridine)

C29H24N2O3 — CID 139144824

IUPAC3-hydroxybenzoic acid;bis(4-phenylpyridine)
SMILESO=C(O)c1cccc(O)c1.c1ccc(-c2ccncc2)cc1.c1ccc(-c2ccncc2)cc1
InChIInChI=1S/2C11H9N.C7H6O3/c2*1-2-4-10(5-3-1)11-6-8-12-9-7-11;8-6-3-1-2-5(4-6)7(9)10/h2*1-9H;1-4,8H,(H,9,10)
InChIKeyKYRKCNKVDMNZQA-UHFFFAOYSA-N
MW448.52 g/mol
LogP6.59
Rot. Bonds3

About 3-hydroxybenzoic acid;bis(4-phenylpyridine)

3-hydroxybenzoic acid;bis(4-phenylpyridine) (PubChem CID 139144824) has the molecular formula C29H24N2O3 and a molecular weight of 448.52 g/mol. Its IUPAC name is 3-hydroxybenzoic acid;bis(4-phenylpyridine).

Molecular Properties

Compound Name3-hydroxybenzoic acid;bis(4-phenylpyridine)
PubChem CID139144824
Molecular FormulaC29H24N2O3
Molecular Weight448.52 g/mol
Exact Mass448.18
IUPAC Name3-hydroxybenzoic acid;bis(4-phenylpyridine)
SMILESO=C(O)c1cccc(O)c1.c1ccc(-c2ccncc2)cc1.c1ccc(-c2ccncc2)cc1
InChIInChI=1S/2C11H9N.C7H6O3/c2*1-2-4-10(5-3-1)11-6-8-12-9-7-11;8-6-3-1-2-5(4-6)7(9)10/h2*1-9H;1-4,8H,(H,9,10)
InChIKeyKYRKCNKVDMNZQA-UHFFFAOYSA-N
XLogP6.59
TPSA83.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.52
LogP ≤ 56.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-Di(Pyridin-4-Yl)benzoic Acid
CID 46316420
4-[6-(3-Hydroxyphenyl)pyrazin-2-Yl]benzoic Acid
CID 86290236
5-(3-Hydroxyphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 57396761
(E)-1-(3-hydroxyphenyl)-3-pyridin-3-ylprop-2-en-1-one
CID 16304855
N-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]-4-pentyl-N-[(4-pyridin-3-ylphenyl)methyl]benzamide
CID 10302679
3'-hydroxy-N-[4-(3-pyridinyl)butyl][1,1'-biphenyl]-4-carboxamide
CID 14570085
5-Hydroxy-2-pyridin-4-ylmethylene-3,4-dihydro-2H-naphthalen-1-one
CID 15072948
N-[(3-hydroxyphenyl)methyl]-4-pyridin-4-ylbenzamide
CID 134475022
[16-(4-Hydroxy-2-methylphenyl)-16-oxohexadecyl]-diphenyl-pyridin-2-ylphosphanium bromide
CID 155520486
(2E)-5-hydroxy-2-(pyridin-2-ylmethylidene)-3,4-dihydronaphthalen-1-one
CID 168279809
3-(2-Phenyl-6-pyridin-4-yl-4-pyridinyl)phenol
CID 46887284
5-hydroxy-2-(pyridin-4-ylmethyl)-3,4-dihydronaphthalen-1(2H)-one
CID 10400011

Frequently Asked Questions

What is the IUPAC name of 3-hydroxybenzoic acid;bis(4-phenylpyridine)?
The IUPAC name of 3-hydroxybenzoic acid;bis(4-phenylpyridine) (CID 139144824) is 3-hydroxybenzoic acid;bis(4-phenylpyridine).
What is the SMILES notation for 3-hydroxybenzoic acid;bis(4-phenylpyridine)?
The canonical SMILES for 3-hydroxybenzoic acid;bis(4-phenylpyridine) is O=C(O)c1cccc(O)c1.c1ccc(-c2ccncc2)cc1.c1ccc(-c2ccncc2)cc1.
What is the InChIKey of 3-hydroxybenzoic acid;bis(4-phenylpyridine)?
The InChIKey is KYRKCNKVDMNZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H9N.C7H6O3/c2*1-2-4-10(5-3-1)11-6-8-12-9-7-11;8-6-3-1-2-5(4-6)7(9)10/h2*1-9H;1-4,8H,(H,9,10).
What are the key properties of 3-hydroxybenzoic acid;bis(4-phenylpyridine)?
3-hydroxybenzoic acid;bis(4-phenylpyridine) has a molecular weight of 448.52 g/mol, XLogP of 6.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxybenzoic acid;bis(4-phenylpyridine) is sourced from PubChem (CID 139144824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).