(2-pyridin-2-yl-4-pyridinyl) 4-phenylbenzoate

C23H16N2O2 — CID 123135219

IUPAC(2-pyridin-2-yl-4-pyridinyl) 4-phenylbenzoate
SMILESO=C(Oc1ccnc(-c2ccccn2)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H16N2O2/c26-23(19-11-9-18(10-12-19)17-6-2-1-3-7-17)27-20-13-15-25-22(16-20)21-8-4-5-14-24-21/h1-16H
InChIKeyVBMMCCXMXHVPCE-UHFFFAOYSA-N
MW352.39 g/mol
LogP5.03
Rot. Bonds4

About (2-pyridin-2-yl-4-pyridinyl) 4-phenylbenzoate

(2-pyridin-2-yl-4-pyridinyl) 4-phenylbenzoate (PubChem CID 123135219) has the molecular formula C23H16N2O2 and a molecular weight of 352.39 g/mol. Its IUPAC name is (2-pyridin-2-yl-4-pyridinyl) 4-phenylbenzoate.

Molecular Properties

Compound Name(2-pyridin-2-yl-4-pyridinyl) 4-phenylbenzoate
PubChem CID123135219
Molecular FormulaC23H16N2O2
Molecular Weight352.39 g/mol
Exact Mass352.12
IUPAC Name(2-pyridin-2-yl-4-pyridinyl) 4-phenylbenzoate
SMILESO=C(Oc1ccnc(-c2ccccn2)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H16N2O2/c26-23(19-11-9-18(10-12-19)17-6-2-1-3-7-17)27-20-13-15-25-22(16-20)21-8-4-5-14-24-21/h1-16H
InChIKeyVBMMCCXMXHVPCE-UHFFFAOYSA-N
XLogP5.03
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.39
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 142296777
CID 142296777
(2,4-diphenyl-6-pyridin-2-ylphenyl) benzoate
CID 102481902
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium
CID 14951635
2-[4-(4-carboxyphenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-4-carboxylic acid
CID 102183000
2-pyridin-2-ylpyridine-4-carboxylic acid;dihydrochloride
CID 91928344
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;osmium;bis(2-pyridin-2-ylpyridine)
CID 162025014
ethyl 4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoate
CID 102197724
(3-benzoyloxy-2-pyridin-2-ylphenyl) benzoate
CID 46187631
2,4-diphenyl-6-[4-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]-1,3,5-triazine
CID 164817157
2-pyridin-2-yl-4-[4-[4-(2-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]pyridine
CID 10389614
3-[4-(3-carboxyphenoxy)carbonylbenzoyl]oxybenzoic acid
CID 70550616
4-(3-bromo-5-phenylphenoxy)-2-pyridin-2-ylpyridine
CID 165377429

Frequently Asked Questions

What is the IUPAC name of (2-pyridin-2-yl-4-pyridinyl) 4-phenylbenzoate?
The IUPAC name of (2-pyridin-2-yl-4-pyridinyl) 4-phenylbenzoate (CID 123135219) is (2-pyridin-2-yl-4-pyridinyl) 4-phenylbenzoate.
What is the SMILES notation for (2-pyridin-2-yl-4-pyridinyl) 4-phenylbenzoate?
The canonical SMILES for (2-pyridin-2-yl-4-pyridinyl) 4-phenylbenzoate is O=C(Oc1ccnc(-c2ccccn2)c1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2-pyridin-2-yl-4-pyridinyl) 4-phenylbenzoate?
The InChIKey is VBMMCCXMXHVPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O2/c26-23(19-11-9-18(10-12-19)17-6-2-1-3-7-17)27-20-13-15-25-22(16-20)21-8-4-5-14-24-21/h1-16H.
What are the key properties of (2-pyridin-2-yl-4-pyridinyl) 4-phenylbenzoate?
(2-pyridin-2-yl-4-pyridinyl) 4-phenylbenzoate has a molecular weight of 352.39 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyridin-2-yl-4-pyridinyl) 4-phenylbenzoate is sourced from PubChem (CID 123135219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).