(E)-2,3-diphenyl-1-(2-pyridin-2-ylphenyl)prop-2-en-1-one

C52H38N2O2 — CID 139041832

IUPAC(E)-2,3-diphenyl-1-(2-pyridin-2-ylphenyl)prop-2-en-1-one
SMILESO=C(/C(=C/c1ccccc1)c1ccccc1)c1ccccc1-c1ccccn1.O=C(/C(=C/c1ccccc1)c1ccccc1)c1ccccc1-c1ccccn1
InChIInChI=1S/2C26H19NO/c2*28-26(23-16-8-7-15-22(23)25-17-9-10-18-27-25)24(21-13-5-2-6-14-21)19-20-11-3-1-4-12-20/h2*1-19H/b2*24-19+
InChIKeyCBCDSTXYVXOCHJ-PKYSBZSPSA-N
MW722.89 g/mol
LogP12.34
Rot. Bonds10

About (E)-2,3-diphenyl-1-(2-pyridin-2-ylphenyl)prop-2-en-1-one

(E)-2,3-diphenyl-1-(2-pyridin-2-ylphenyl)prop-2-en-1-one (PubChem CID 139041832) has the molecular formula C52H38N2O2 and a molecular weight of 722.89 g/mol. Its IUPAC name is (E)-2,3-diphenyl-1-(2-pyridin-2-ylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-2,3-diphenyl-1-(2-pyridin-2-ylphenyl)prop-2-en-1-one
PubChem CID139041832
Molecular FormulaC52H38N2O2
Molecular Weight722.89 g/mol
Exact Mass722.29
IUPAC Name(E)-2,3-diphenyl-1-(2-pyridin-2-ylphenyl)prop-2-en-1-one
SMILESO=C(/C(=C/c1ccccc1)c1ccccc1)c1ccccc1-c1ccccn1.O=C(/C(=C/c1ccccc1)c1ccccc1)c1ccccc1-c1ccccn1
InChIInChI=1S/2C26H19NO/c2*28-26(23-16-8-7-15-22(23)25-17-9-10-18-27-25)24(21-13-5-2-6-14-21)19-20-11-3-1-4-12-20/h2*1-19H/b2*24-19+
InChIKeyCBCDSTXYVXOCHJ-PKYSBZSPSA-N
XLogP12.34
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.89
LogP ≤ 512.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

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CID 656732
Jwh-309
CID 44418371
Dmp-543
CID 9887884
Jwh-366
CID 44418373
1,5-Diphenyl-3-(pyridin-4-yl)pentane-1,5-dione
CID 219448
Insnnvnwdycobu-uhfffaoysa-
CID 13147660
1-Phenyl-2-(2-pyridinyl)ethanone
CID 74179
1(2H)-Naphthalenone, 3,4-dihydro-2-(3-pyridylmethylene)-
CID 1550302
1-Isoquinolinyl phenyl ketone
CID 280081
(2Z,6E)-4-tert-butyl-2,6-bis(pyridin-2-ylmethylene)cyclohexanone
CID 2059132
1-(4-Benzoylpiperazin-1-yl)-2-(3-isoquinolyl)ethane-1,2-dione
CID 5280260
(4-Phenylphenyl)-[4-(2-pyridylmethyl)piperazino]methanone
CID 1148103

Frequently Asked Questions

What is the IUPAC name of (E)-2,3-diphenyl-1-(2-pyridin-2-ylphenyl)prop-2-en-1-one?
The IUPAC name of (E)-2,3-diphenyl-1-(2-pyridin-2-ylphenyl)prop-2-en-1-one (CID 139041832) is (E)-2,3-diphenyl-1-(2-pyridin-2-ylphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-2,3-diphenyl-1-(2-pyridin-2-ylphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-2,3-diphenyl-1-(2-pyridin-2-ylphenyl)prop-2-en-1-one is O=C(/C(=C/c1ccccc1)c1ccccc1)c1ccccc1-c1ccccn1.O=C(/C(=C/c1ccccc1)c1ccccc1)c1ccccc1-c1ccccn1.
What is the InChIKey of (E)-2,3-diphenyl-1-(2-pyridin-2-ylphenyl)prop-2-en-1-one?
The InChIKey is CBCDSTXYVXOCHJ-PKYSBZSPSA-N. The full InChI is InChI=1S/2C26H19NO/c2*28-26(23-16-8-7-15-22(23)25-17-9-10-18-27-25)24(21-13-5-2-6-14-21)19-20-11-3-1-4-12-20/h2*1-19H/b2*24-19+.
What are the key properties of (E)-2,3-diphenyl-1-(2-pyridin-2-ylphenyl)prop-2-en-1-one?
(E)-2,3-diphenyl-1-(2-pyridin-2-ylphenyl)prop-2-en-1-one has a molecular weight of 722.89 g/mol, XLogP of 12.34, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3-diphenyl-1-(2-pyridin-2-ylphenyl)prop-2-en-1-one is sourced from PubChem (CID 139041832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).