bis(4-methylphenyl)methanone;dipyridin-2-ylmethanone;phenyl(pyridin-3-yl)methanone

C38H31N3O3 — CID 123873878

IUPACbis(4-methylphenyl)methanone;dipyridin-2-ylmethanone;phenyl(pyridin-3-yl)methanone
SMILESCc1ccc(C(=O)c2ccc(C)cc2)cc1.O=C(c1ccccc1)c1cccnc1.O=C(c1ccccn1)c1ccccn1
InChIInChI=1S/C15H14O.C12H9NO.C11H8N2O/c1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14;14-12(10-5-2-1-3-6-10)11-7-4-8-13-9-11;14-11(9-5-1-3-7-12-9)10-6-2-4-8-13-10/h3-10H,1-2H3;1-9H;1-8H
InChIKeyFSOKPNRSRUWEPV-UHFFFAOYSA-N
MW577.68 g/mol
LogP7.55
Rot. Bonds6

About bis(4-methylphenyl)methanone;dipyridin-2-ylmethanone;phenyl(pyridin-3-yl)methanone

bis(4-methylphenyl)methanone;dipyridin-2-ylmethanone;phenyl(pyridin-3-yl)methanone (PubChem CID 123873878) has the molecular formula C38H31N3O3 and a molecular weight of 577.68 g/mol. Its IUPAC name is bis(4-methylphenyl)methanone;dipyridin-2-ylmethanone;phenyl(pyridin-3-yl)methanone.

Molecular Properties

Compound Namebis(4-methylphenyl)methanone;dipyridin-2-ylmethanone;phenyl(pyridin-3-yl)methanone
PubChem CID123873878
Molecular FormulaC38H31N3O3
Molecular Weight577.68 g/mol
Exact Mass577.24
IUPAC Namebis(4-methylphenyl)methanone;dipyridin-2-ylmethanone;phenyl(pyridin-3-yl)methanone
SMILESCc1ccc(C(=O)c2ccc(C)cc2)cc1.O=C(c1ccccc1)c1cccnc1.O=C(c1ccccn1)c1ccccn1
InChIInChI=1S/C15H14O.C12H9NO.C11H8N2O/c1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14;14-12(10-5-2-1-3-6-10)11-7-4-8-13-9-11;14-11(9-5-1-3-7-12-9)10-6-2-4-8-13-10/h3-10H,1-2H3;1-9H;1-8H
InChIKeyFSOKPNRSRUWEPV-UHFFFAOYSA-N
XLogP7.55
TPSA89.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.68
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ascididemin
CID 189219
2-Pyridyl(2-quinolyl)methanone
CID 2817968
7-Amino-2-(pyridin-2-yl)quinoline-5,8-dione
CID 21771691
1-(4-Benzoylpiperazin-1-yl)-2-(3-isoquinolyl)ethane-1,2-dione
CID 5280260
1-(4-Benzoylpiperazin-1-yl)-2-(1,6-naphthyridin-2-yl)ethane-1,2-dione
CID 5280261
3-Methylpyrido[3,2-g]quinoline-5,10-dione
CID 13126949
4,9-Dimethylpyrido[2,3-g]quinoline-5,10-dione
CID 18629299
3,8-Diethylpyrido[2,3-g]quinoline-5,10-dione
CID 21608544
11-Methylpyrido(2,3-b)acridine-5,12-dione
CID 378075
11-(2-Dimethylaminoethyl)pyrido[2,3-b]acridine-5,12-dione
CID 387193
1,8-Diazaanthraquinone
CID 11063694
3-(Pyridine-2-carbonyl)pyridine
CID 318610

Frequently Asked Questions

What is the IUPAC name of bis(4-methylphenyl)methanone;dipyridin-2-ylmethanone;phenyl(pyridin-3-yl)methanone?
The IUPAC name of bis(4-methylphenyl)methanone;dipyridin-2-ylmethanone;phenyl(pyridin-3-yl)methanone (CID 123873878) is bis(4-methylphenyl)methanone;dipyridin-2-ylmethanone;phenyl(pyridin-3-yl)methanone.
What is the SMILES notation for bis(4-methylphenyl)methanone;dipyridin-2-ylmethanone;phenyl(pyridin-3-yl)methanone?
The canonical SMILES for bis(4-methylphenyl)methanone;dipyridin-2-ylmethanone;phenyl(pyridin-3-yl)methanone is Cc1ccc(C(=O)c2ccc(C)cc2)cc1.O=C(c1ccccc1)c1cccnc1.O=C(c1ccccn1)c1ccccn1.
What is the InChIKey of bis(4-methylphenyl)methanone;dipyridin-2-ylmethanone;phenyl(pyridin-3-yl)methanone?
The InChIKey is FSOKPNRSRUWEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O.C12H9NO.C11H8N2O/c1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14;14-12(10-5-2-1-3-6-10)11-7-4-8-13-9-11;14-11(9-5-1-3-7-12-9)10-6-2-4-8-13-10/h3-10H,1-2H3;1-9H;1-8H.
What are the key properties of bis(4-methylphenyl)methanone;dipyridin-2-ylmethanone;phenyl(pyridin-3-yl)methanone?
bis(4-methylphenyl)methanone;dipyridin-2-ylmethanone;phenyl(pyridin-3-yl)methanone has a molecular weight of 577.68 g/mol, XLogP of 7.55, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methylphenyl)methanone;dipyridin-2-ylmethanone;phenyl(pyridin-3-yl)methanone is sourced from PubChem (CID 123873878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).