2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;(2-dimethylphosphaniumylphenyl)-dimethylphosphanium;osmium(1+)

C23H30NOsP2+2 — CID 164740241

IUPAC2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;(2-dimethylphosphaniumylphenyl)-dimethylphosphanium;osmium(1+)
SMILESC[PH+](C)c1ccccc1[PH+](C)C.Cc1[c-]c(-c2ccccn2)cc(C)c1.[Os+]
InChIInChI=1S/C13H12N.C10H16P2.Os/c1-10-7-11(2)9-12(8-10)13-5-3-4-6-14-13;1-11(2)9-7-5-6-8-10(9)12(3)4;/h3-8H,1-2H3;5-8H,1-4H3;/q-1;;+1/p+2
InChIKeyZAFRWLMKRPJNBN-UHFFFAOYSA-P
MW572.68 g/mol
LogP5.05
Rot. Bonds3

About 2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;(2-dimethylphosphaniumylphenyl)-dimethylphosphanium;osmium(1+)

2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;(2-dimethylphosphaniumylphenyl)-dimethylphosphanium;osmium(1+) (PubChem CID 164740241) has the molecular formula C23H30NOsP2+2 and a molecular weight of 572.68 g/mol. Its IUPAC name is 2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;(2-dimethylphosphaniumylphenyl)-dimethylphosphanium;osmium(1+).

Molecular Properties

Compound Name2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;(2-dimethylphosphaniumylphenyl)-dimethylphosphanium;osmium(1+)
PubChem CID164740241
Molecular FormulaC23H30NOsP2+2
Molecular Weight572.68 g/mol
Exact Mass574.15
IUPAC Name2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;(2-dimethylphosphaniumylphenyl)-dimethylphosphanium;osmium(1+)
SMILESC[PH+](C)c1ccccc1[PH+](C)C.Cc1[c-]c(-c2ccccn2)cc(C)c1.[Os+]
InChIInChI=1S/C13H12N.C10H16P2.Os/c1-10-7-11(2)9-12(8-10)13-5-3-4-6-14-13;1-11(2)9-7-5-6-8-10(9)12(3)4;/h3-8H,1-2H3;5-8H,1-4H3;/q-1;;+1/p+2
InChIKeyZAFRWLMKRPJNBN-UHFFFAOYSA-P
XLogP5.05
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.68
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;(2-dimethylphosphaniumylphenyl)-dimethylphosphanium;osmium(1+) with MolForge

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Related Compounds

chloroplatinum(1+);2-[3-pyridin-2-yl-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]pyridine
CID 57326725
2-[3-[3-(3,5-dipyridin-2-ylphenyl)-5-methylphenyl]-5-pyridin-2-ylphenyl]pyridine
CID 58556429
iridium;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(2-methylphenyl)pyridine
CID 166502338
4-methyl-2-pyridin-2-ylpyridine
CID 11019291
4-methyl-2-(4-methyl-2-pyridinyl)pyridine;2-pyridin-2-ylpyridine
CID 158258168
2-(2-iodo-5-methyl-3-pyridin-2-ylphenyl)pyridine
CID 101459024
4-(3,5-dimethylbenzene-6-id-1-yl)-7,8-dimethylbenzo[f]isoquinoline;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium;2-phenylpyridine
CID 168745358
1-(3,5-dimethylbenzene-6-id-1-yl)naphtho[2,1-f]isoquinoline;iridium(3+);2-(3-phenylbenzene-6-id-1-yl)pyridine;2-phenylpyridine
CID 168745218
bromoplatinum(1+);5-methyl-2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine
CID 58637296
4-methyl-2-pyridin-2-ylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium
CID 59651145
iridium;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-yl]pyridine;2-pyridin-2-ylpyridine
CID 171470504
2-(2,5-dimethyl-4-pyridin-2-ylphenyl)pyridine
CID 118652406

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;(2-dimethylphosphaniumylphenyl)-dimethylphosphanium;osmium(1+)?
The IUPAC name of 2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;(2-dimethylphosphaniumylphenyl)-dimethylphosphanium;osmium(1+) (CID 164740241) is 2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;(2-dimethylphosphaniumylphenyl)-dimethylphosphanium;osmium(1+).
What is the SMILES notation for 2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;(2-dimethylphosphaniumylphenyl)-dimethylphosphanium;osmium(1+)?
The canonical SMILES for 2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;(2-dimethylphosphaniumylphenyl)-dimethylphosphanium;osmium(1+) is C[PH+](C)c1ccccc1[PH+](C)C.Cc1[c-]c(-c2ccccn2)cc(C)c1.[Os+].
What is the InChIKey of 2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;(2-dimethylphosphaniumylphenyl)-dimethylphosphanium;osmium(1+)?
The InChIKey is ZAFRWLMKRPJNBN-UHFFFAOYSA-P. The full InChI is InChI=1S/C13H12N.C10H16P2.Os/c1-10-7-11(2)9-12(8-10)13-5-3-4-6-14-13;1-11(2)9-7-5-6-8-10(9)12(3)4;/h3-8H,1-2H3;5-8H,1-4H3;/q-1;;+1/p+2.
What are the key properties of 2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;(2-dimethylphosphaniumylphenyl)-dimethylphosphanium;osmium(1+)?
2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;(2-dimethylphosphaniumylphenyl)-dimethylphosphanium;osmium(1+) has a molecular weight of 572.68 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;(2-dimethylphosphaniumylphenyl)-dimethylphosphanium;osmium(1+) is sourced from PubChem (CID 164740241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).