2-(3-methylphenyl)pyridine;bis(2-phenylquinoline);ruthenium(3+)

C42H33N3Ru+3 — CID 172795269

IUPAC2-(3-methylphenyl)pyridine;bis(2-phenylquinoline);ruthenium(3+)
SMILESCc1cccc(-c2ccccn2)c1.[Ru+3].c1ccc(-c2ccc3ccccc3n2)cc1.c1ccc(-c2ccc3ccccc3n2)cc1
InChIInChI=1S/2C15H11N.C12H11N.Ru/c2*1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;1-10-5-4-6-11(9-10)12-7-2-3-8-13-12;/h2*1-11H;2-9H,1H3;/q;;;+3
InChIKeyQCRDSVZGEQMFPQ-UHFFFAOYSA-N
MW680.82 g/mol
LogP10.86
Rot. Bonds3

About 2-(3-methylphenyl)pyridine;bis(2-phenylquinoline);ruthenium(3+)

2-(3-methylphenyl)pyridine;bis(2-phenylquinoline);ruthenium(3+) (PubChem CID 172795269) has the molecular formula C42H33N3Ru+3 and a molecular weight of 680.82 g/mol. Its IUPAC name is 2-(3-methylphenyl)pyridine;bis(2-phenylquinoline);ruthenium(3+).

Molecular Properties

Compound Name2-(3-methylphenyl)pyridine;bis(2-phenylquinoline);ruthenium(3+)
PubChem CID172795269
Molecular FormulaC42H33N3Ru+3
Molecular Weight680.82 g/mol
Exact Mass681.17
IUPAC Name2-(3-methylphenyl)pyridine;bis(2-phenylquinoline);ruthenium(3+)
SMILESCc1cccc(-c2ccccn2)c1.[Ru+3].c1ccc(-c2ccc3ccccc3n2)cc1.c1ccc(-c2ccc3ccccc3n2)cc1
InChIInChI=1S/2C15H11N.C12H11N.Ru/c2*1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;1-10-5-4-6-11(9-10)12-7-2-3-8-13-12;/h2*1-11H;2-9H,1H3;/q;;;+3
InChIKeyQCRDSVZGEQMFPQ-UHFFFAOYSA-N
XLogP10.86
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.82
LogP ≤ 510.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[4-(4-pyridin-2-ylphenyl)-6-(4-quinolin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 122427220
iridium;tris(7-methyl-2-(3-methylphenyl)quinoline)
CID 159550728
2-[3-(3-methylphenyl)-5-pyridin-2-ylphenyl]pyridine
CID 123620977
3-[3-[2,6-bis(4-phenylphenyl)-4-pyridinyl]-5-isoquinolin-3-ylphenyl]isoquinoline;2-[3-[2,6-bis(3-phenylphenyl)-4-pyridinyl]-5-quinolin-2-ylphenyl]quinoline;3-[3-[2,6-bis(4-pyridin-2-ylphenyl)-4-pyridinyl]-5-isoquinolin-3-ylphenyl]isoquinoline
CID 163983947
iridium;tris(2-phenylquinoline)
CID 122129463
2-[3-[2-(3,5-dipyridin-2-ylphenyl)quinolin-6-yl]phenyl]benzo[g]quinoline
CID 139363998
5-methyl-2-phenylpyridine;5-methyl-2-pyridin-2-ylpyridine;3-methylquinoline;toluene
CID 158347101
iridium(3+);bis(2-pyridin-2-ylquinoline)
CID 175803396
4-(3-methylphenyl)-2,6-dipyridin-2-ylpyridine
CID 22359756
2-phenylquinoline;quinolin-8-ol
CID 159295421
2-[3,5-bis[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine
CID 102128660
8-phenylquinoline;2-pyridin-2-ylquinoline
CID 143968866

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)pyridine;bis(2-phenylquinoline);ruthenium(3+)?
The IUPAC name of 2-(3-methylphenyl)pyridine;bis(2-phenylquinoline);ruthenium(3+) (CID 172795269) is 2-(3-methylphenyl)pyridine;bis(2-phenylquinoline);ruthenium(3+).
What is the SMILES notation for 2-(3-methylphenyl)pyridine;bis(2-phenylquinoline);ruthenium(3+)?
The canonical SMILES for 2-(3-methylphenyl)pyridine;bis(2-phenylquinoline);ruthenium(3+) is Cc1cccc(-c2ccccn2)c1.[Ru+3].c1ccc(-c2ccc3ccccc3n2)cc1.c1ccc(-c2ccc3ccccc3n2)cc1.
What is the InChIKey of 2-(3-methylphenyl)pyridine;bis(2-phenylquinoline);ruthenium(3+)?
The InChIKey is QCRDSVZGEQMFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H11N.C12H11N.Ru/c2*1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;1-10-5-4-6-11(9-10)12-7-2-3-8-13-12;/h2*1-11H;2-9H,1H3;/q;;;+3.
What are the key properties of 2-(3-methylphenyl)pyridine;bis(2-phenylquinoline);ruthenium(3+)?
2-(3-methylphenyl)pyridine;bis(2-phenylquinoline);ruthenium(3+) has a molecular weight of 680.82 g/mol, XLogP of 10.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)pyridine;bis(2-phenylquinoline);ruthenium(3+) is sourced from PubChem (CID 172795269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).