dipyridin-2-ylmethanone;4-phenylbenzaldehyde

C24H18N2O2 — CID 87196974

IUPACdipyridin-2-ylmethanone;4-phenylbenzaldehyde
SMILESO=C(c1ccccn1)c1ccccn1.O=Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H10O.C11H8N2O/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;14-11(9-5-1-3-7-12-9)10-6-2-4-8-13-10/h1-10H;1-8H
InChIKeyBAPAKBOPNAGKHP-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.87
Rot. Bonds4

About dipyridin-2-ylmethanone;4-phenylbenzaldehyde

dipyridin-2-ylmethanone;4-phenylbenzaldehyde (PubChem CID 87196974) has the molecular formula C24H18N2O2 and a molecular weight of 366.42 g/mol. Its IUPAC name is dipyridin-2-ylmethanone;4-phenylbenzaldehyde.

Molecular Properties

Compound Namedipyridin-2-ylmethanone;4-phenylbenzaldehyde
PubChem CID87196974
Molecular FormulaC24H18N2O2
Molecular Weight366.42 g/mol
Exact Mass366.14
IUPAC Namedipyridin-2-ylmethanone;4-phenylbenzaldehyde
SMILESO=C(c1ccccn1)c1ccccn1.O=Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H10O.C11H8N2O/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;14-11(9-5-1-3-7-12-9)10-6-2-4-8-13-10/h1-10H;1-8H
InChIKeyBAPAKBOPNAGKHP-UHFFFAOYSA-N
XLogP4.87
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]benzaldehyde
CID 59800933
CID 173156131
CID 173156131
bicyclo[2.2.0]hexa-1,3,5-triene;1-pyridin-2-ylethanone
CID 22757609
2-(pyridine-2-carbonyl)-1-benzofuran-5-carbaldehyde
CID 15310183
2-(pyridine-2-carbonyl)pyridine-3-carbaldehyde
CID 144804032
gadolinium;pyridine-2-carboxylic acid
CID 175231422
pyrazin-2-yl(pyridin-2-yl)methanone
CID 22931525
(E)-3-hydroxy-1,3-dipyridin-2-ylprop-2-en-1-one
CID 91870939
pyridine-2-carboxylic acid;tungsten
CID 88770661
hafnium;pyridine-2-carboxylic acid
CID 175130925
CID 175246691
CID 175246691
europium;pyridine-2-carboxylic acid
CID 174808227

Frequently Asked Questions

What is the IUPAC name of dipyridin-2-ylmethanone;4-phenylbenzaldehyde?
The IUPAC name of dipyridin-2-ylmethanone;4-phenylbenzaldehyde (CID 87196974) is dipyridin-2-ylmethanone;4-phenylbenzaldehyde.
What is the SMILES notation for dipyridin-2-ylmethanone;4-phenylbenzaldehyde?
The canonical SMILES for dipyridin-2-ylmethanone;4-phenylbenzaldehyde is O=C(c1ccccn1)c1ccccn1.O=Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of dipyridin-2-ylmethanone;4-phenylbenzaldehyde?
The InChIKey is BAPAKBOPNAGKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O.C11H8N2O/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;14-11(9-5-1-3-7-12-9)10-6-2-4-8-13-10/h1-10H;1-8H.
What are the key properties of dipyridin-2-ylmethanone;4-phenylbenzaldehyde?
dipyridin-2-ylmethanone;4-phenylbenzaldehyde has a molecular weight of 366.42 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipyridin-2-ylmethanone;4-phenylbenzaldehyde is sourced from PubChem (CID 87196974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).