(2,5-dimethylphenyl)-pyridin-2-ylmethanone;ethene;formaldehyde;2-methyl-5-[4-[4-methyl-2-(pyridine-2-carbonyl)phenyl]-3-(pyridine-2-carbonyl)phenyl]benzaldehyde;2-methylpyridine

C59H56N4O6 — CID 144898554

IUPAC(2,5-dimethylphenyl)-pyridin-2-ylmethanone;ethene;formaldehyde;2-methyl-5-[4-[4-methyl-2-(pyridine-2-carbonyl)phenyl]-3-(pyridine-2-carbonyl)phenyl]benzaldehyde;2-methylpyridine
SMILESC=C.C=C.C=O.C=O.Cc1ccc(-c2ccc(-c3ccc(C)c(C=O)c3)cc2C(=O)c2ccccn2)c(C(=O)c2ccccn2)c1.Cc1ccc(C)c(C(=O)c2ccccn2)c1.Cc1ccccn1
InChIInChI=1S/C33H24N2O3.C14H13NO.C6H7N.2C2H4.2CH2O/c1-21-9-13-26(28(17-21)32(37)30-7-3-5-15-34-30)27-14-12-24(23-11-10-22(2)25(18-23)20-36)19-29(27)33(38)31-8-4-6-16-35-31;1-10-6-7-11(2)12(9-10)14(16)13-5-3-4-8-15-13;1-6-4-2-3-5-7-6;4*1-2/h3-20H,1-2H3;3-9H,1-2H3;2-5H,1H3;2*1-2H2;2*1H2
InChIKeyIHTOKDADRVSPIT-UHFFFAOYSA-N
MW917.12 g/mol
LogP12.26
Rot. Bonds9

About (2,5-dimethylphenyl)-pyridin-2-ylmethanone;ethene;formaldehyde;2-methyl-5-[4-[4-methyl-2-(pyridine-2-carbonyl)phenyl]-3-(pyridine-2-carbonyl)phenyl]benzaldehyde;2-methylpyridine

(2,5-dimethylphenyl)-pyridin-2-ylmethanone;ethene;formaldehyde;2-methyl-5-[4-[4-methyl-2-(pyridine-2-carbonyl)phenyl]-3-(pyridine-2-carbonyl)phenyl]benzaldehyde;2-methylpyridine (PubChem CID 144898554) has the molecular formula C59H56N4O6 and a molecular weight of 917.12 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-pyridin-2-ylmethanone;ethene;formaldehyde;2-methyl-5-[4-[4-methyl-2-(pyridine-2-carbonyl)phenyl]-3-(pyridine-2-carbonyl)phenyl]benzaldehyde;2-methylpyridine.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-pyridin-2-ylmethanone;ethene;formaldehyde;2-methyl-5-[4-[4-methyl-2-(pyridine-2-carbonyl)phenyl]-3-(pyridine-2-carbonyl)phenyl]benzaldehyde;2-methylpyridine
PubChem CID144898554
Molecular FormulaC59H56N4O6
Molecular Weight917.12 g/mol
Exact Mass916.42
IUPAC Name(2,5-dimethylphenyl)-pyridin-2-ylmethanone;ethene;formaldehyde;2-methyl-5-[4-[4-methyl-2-(pyridine-2-carbonyl)phenyl]-3-(pyridine-2-carbonyl)phenyl]benzaldehyde;2-methylpyridine
SMILESC=C.C=C.C=O.C=O.Cc1ccc(-c2ccc(-c3ccc(C)c(C=O)c3)cc2C(=O)c2ccccn2)c(C(=O)c2ccccn2)c1.Cc1ccc(C)c(C(=O)c2ccccn2)c1.Cc1ccccn1
InChIInChI=1S/C33H24N2O3.C14H13NO.C6H7N.2C2H4.2CH2O/c1-21-9-13-26(28(17-21)32(37)30-7-3-5-15-34-30)27-14-12-24(23-11-10-22(2)25(18-23)20-36)19-29(27)33(38)31-8-4-6-16-35-31;1-10-6-7-11(2)12(9-10)14(16)13-5-3-4-8-15-13;1-6-4-2-3-5-7-6;4*1-2/h3-20H,1-2H3;3-9H,1-2H3;2-5H,1H3;2*1-2H2;2*1H2
InChIKeyIHTOKDADRVSPIT-UHFFFAOYSA-N
XLogP12.26
TPSA153.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500917.12
LogP ≤ 512.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

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CID 155908896
1,1'-(4,4'-Di-tert-butyl-6,6'-bis(3-fluoro-4-methylpyridin-2-yl)-[1,1'-biphenyl]-3,3'-diyl)bis(ethan-1-one)
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2-Pyridyl 9-phenanthryl ketone
CID 601034
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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-pyridin-2-ylmethanone;ethene;formaldehyde;2-methyl-5-[4-[4-methyl-2-(pyridine-2-carbonyl)phenyl]-3-(pyridine-2-carbonyl)phenyl]benzaldehyde;2-methylpyridine?
The IUPAC name of (2,5-dimethylphenyl)-pyridin-2-ylmethanone;ethene;formaldehyde;2-methyl-5-[4-[4-methyl-2-(pyridine-2-carbonyl)phenyl]-3-(pyridine-2-carbonyl)phenyl]benzaldehyde;2-methylpyridine (CID 144898554) is (2,5-dimethylphenyl)-pyridin-2-ylmethanone;ethene;formaldehyde;2-methyl-5-[4-[4-methyl-2-(pyridine-2-carbonyl)phenyl]-3-(pyridine-2-carbonyl)phenyl]benzaldehyde;2-methylpyridine.
What is the SMILES notation for (2,5-dimethylphenyl)-pyridin-2-ylmethanone;ethene;formaldehyde;2-methyl-5-[4-[4-methyl-2-(pyridine-2-carbonyl)phenyl]-3-(pyridine-2-carbonyl)phenyl]benzaldehyde;2-methylpyridine?
The canonical SMILES for (2,5-dimethylphenyl)-pyridin-2-ylmethanone;ethene;formaldehyde;2-methyl-5-[4-[4-methyl-2-(pyridine-2-carbonyl)phenyl]-3-(pyridine-2-carbonyl)phenyl]benzaldehyde;2-methylpyridine is C=C.C=C.C=O.C=O.Cc1ccc(-c2ccc(-c3ccc(C)c(C=O)c3)cc2C(=O)c2ccccn2)c(C(=O)c2ccccn2)c1.Cc1ccc(C)c(C(=O)c2ccccn2)c1.Cc1ccccn1.
What is the InChIKey of (2,5-dimethylphenyl)-pyridin-2-ylmethanone;ethene;formaldehyde;2-methyl-5-[4-[4-methyl-2-(pyridine-2-carbonyl)phenyl]-3-(pyridine-2-carbonyl)phenyl]benzaldehyde;2-methylpyridine?
The InChIKey is IHTOKDADRVSPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N2O3.C14H13NO.C6H7N.2C2H4.2CH2O/c1-21-9-13-26(28(17-21)32(37)30-7-3-5-15-34-30)27-14-12-24(23-11-10-22(2)25(18-23)20-36)19-29(27)33(38)31-8-4-6-16-35-31;1-10-6-7-11(2)12(9-10)14(16)13-5-3-4-8-15-13;1-6-4-2-3-5-7-6;4*1-2/h3-20H,1-2H3;3-9H,1-2H3;2-5H,1H3;2*1-2H2;2*1H2.
What are the key properties of (2,5-dimethylphenyl)-pyridin-2-ylmethanone;ethene;formaldehyde;2-methyl-5-[4-[4-methyl-2-(pyridine-2-carbonyl)phenyl]-3-(pyridine-2-carbonyl)phenyl]benzaldehyde;2-methylpyridine?
(2,5-dimethylphenyl)-pyridin-2-ylmethanone;ethene;formaldehyde;2-methyl-5-[4-[4-methyl-2-(pyridine-2-carbonyl)phenyl]-3-(pyridine-2-carbonyl)phenyl]benzaldehyde;2-methylpyridine has a molecular weight of 917.12 g/mol, XLogP of 12.26, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)-pyridin-2-ylmethanone;ethene;formaldehyde;2-methyl-5-[4-[4-methyl-2-(pyridine-2-carbonyl)phenyl]-3-(pyridine-2-carbonyl)phenyl]benzaldehyde;2-methylpyridine is sourced from PubChem (CID 144898554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).