5-methyl-2-phenylpyridine;5-methyl-2-pyridin-2-ylpyridine;3-methylquinoline;toluene

C40H38N4 — CID 158347101

IUPAC5-methyl-2-phenylpyridine;5-methyl-2-pyridin-2-ylpyridine;3-methylquinoline;toluene
SMILESCc1ccc(-c2ccccc2)nc1.Cc1ccc(-c2ccccn2)nc1.Cc1ccccc1.Cc1cnc2ccccc2c1
InChIInChI=1S/C12H11N.C11H10N2.C10H9N.C7H8/c1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;1-9-5-6-11(13-8-9)10-4-2-3-7-12-10;1-8-6-9-4-2-3-5-10(9)11-7-8;1-7-5-3-2-4-6-7/h2-9H,1H3;2-8H,1H3;2-7H,1H3;2-6H,1H3
InChIKeyGRWFOKHGMDVOFT-UHFFFAOYSA-N
MW574.77 g/mol
LogP10.05
Rot. Bonds2

About 5-methyl-2-phenylpyridine;5-methyl-2-pyridin-2-ylpyridine;3-methylquinoline;toluene

5-methyl-2-phenylpyridine;5-methyl-2-pyridin-2-ylpyridine;3-methylquinoline;toluene (PubChem CID 158347101) has the molecular formula C40H38N4 and a molecular weight of 574.77 g/mol. Its IUPAC name is 5-methyl-2-phenylpyridine;5-methyl-2-pyridin-2-ylpyridine;3-methylquinoline;toluene.

Molecular Properties

Compound Name5-methyl-2-phenylpyridine;5-methyl-2-pyridin-2-ylpyridine;3-methylquinoline;toluene
PubChem CID158347101
Molecular FormulaC40H38N4
Molecular Weight574.77 g/mol
Exact Mass574.31
IUPAC Name5-methyl-2-phenylpyridine;5-methyl-2-pyridin-2-ylpyridine;3-methylquinoline;toluene
SMILESCc1ccc(-c2ccccc2)nc1.Cc1ccc(-c2ccccn2)nc1.Cc1ccccc1.Cc1cnc2ccccc2c1
InChIInChI=1S/C12H11N.C11H10N2.C10H9N.C7H8/c1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;1-9-5-6-11(13-8-9)10-4-2-3-7-12-10;1-8-6-9-4-2-3-5-10(9)11-7-8;1-7-5-3-2-4-6-7/h2-9H,1H3;2-8H,1H3;2-7H,1H3;2-6H,1H3
InChIKeyGRWFOKHGMDVOFT-UHFFFAOYSA-N
XLogP10.05
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.77
LogP ≤ 510.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylphenyl)pyridine;bis(2-phenylquinoline);ruthenium(3+)
CID 172795269
2-(4-methylphenyl)pyridine;silver
CID 121395993
2-(5-methyl-2-pyridinyl)-4,6-dipyridin-2-yl-1,3,5-triazine
CID 58261693
2,2-dimethylpropane;5-methyl-2-phenylpyridine
CID 143955006
3-[5-[7-(4-methylphenyl)naphthalen-2-yl]-2-pyridinyl]quinoline
CID 170293992
2-[4-[4-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 165168249
iridium;tris(2-[4-(4-methylphenyl)phenyl]pyridine)
CID 173084530
2-[4-(4-tert-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[5-(4-tert-butylphenyl)-2-pyridinyl]-4,6-bis(5-phenyl-2-pyridinyl)-1,3,5-triazine;2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-4,6-bis(6-pyridin-2-yl-3-pyridinyl)-1,3,5-triazine
CID 159313177
4-[2-(4-methylphenyl)ethynyl]-2-phenyl-6-pyridin-2-ylpyridine
CID 24750510
6-[4-(4-pyridin-2-ylphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]quinoline
CID 122427591
2-tert-butyl-5-methylpyridine;2,5-dimethylpyridine;7-methylisoquinoline;5-methyl-2-phenylpyridine;5-methyl-2-pyridin-2-ylpyridine;5-methyl-2-pyridin-3-ylpyridine;7-methylquinoline
CID 160574393
3-methyl-6-(5-methyl-2-pyridinyl)-2-pyridin-2-ylpyridine
CID 101109950

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenylpyridine;5-methyl-2-pyridin-2-ylpyridine;3-methylquinoline;toluene?
The IUPAC name of 5-methyl-2-phenylpyridine;5-methyl-2-pyridin-2-ylpyridine;3-methylquinoline;toluene (CID 158347101) is 5-methyl-2-phenylpyridine;5-methyl-2-pyridin-2-ylpyridine;3-methylquinoline;toluene.
What is the SMILES notation for 5-methyl-2-phenylpyridine;5-methyl-2-pyridin-2-ylpyridine;3-methylquinoline;toluene?
The canonical SMILES for 5-methyl-2-phenylpyridine;5-methyl-2-pyridin-2-ylpyridine;3-methylquinoline;toluene is Cc1ccc(-c2ccccc2)nc1.Cc1ccc(-c2ccccn2)nc1.Cc1ccccc1.Cc1cnc2ccccc2c1.
What is the InChIKey of 5-methyl-2-phenylpyridine;5-methyl-2-pyridin-2-ylpyridine;3-methylquinoline;toluene?
The InChIKey is GRWFOKHGMDVOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N.C11H10N2.C10H9N.C7H8/c1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;1-9-5-6-11(13-8-9)10-4-2-3-7-12-10;1-8-6-9-4-2-3-5-10(9)11-7-8;1-7-5-3-2-4-6-7/h2-9H,1H3;2-8H,1H3;2-7H,1H3;2-6H,1H3.
What are the key properties of 5-methyl-2-phenylpyridine;5-methyl-2-pyridin-2-ylpyridine;3-methylquinoline;toluene?
5-methyl-2-phenylpyridine;5-methyl-2-pyridin-2-ylpyridine;3-methylquinoline;toluene has a molecular weight of 574.77 g/mol, XLogP of 10.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenylpyridine;5-methyl-2-pyridin-2-ylpyridine;3-methylquinoline;toluene is sourced from PubChem (CID 158347101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).