bis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);2-pyridin-2-ylpyridine

C42H30F6N8Os — CID 140775460

IUPACbis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);2-pyridin-2-ylpyridine
SMILESCc1cc(-c2cc(C(F)(F)F)n[n-]2)ncc1-c1ccccc1.Cc1cc(-c2cc(C(F)(F)F)n[n-]2)ncc1-c1ccccc1.[Os+2].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C16H11F3N3.C10H8N2.Os/c2*1-10-7-13(14-8-15(22-21-14)16(17,18)19)20-9-12(10)11-5-3-2-4-6-11;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h2*2-9H,1H3;1-8H;/q2*-1;;+2
InChIKeyUBXKIDIBSTURCL-UHFFFAOYSA-N
MW950.98 g/mol
LogP10.33
Rot. Bonds5

About bis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);2-pyridin-2-ylpyridine

bis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);2-pyridin-2-ylpyridine (PubChem CID 140775460) has the molecular formula C42H30F6N8Os and a molecular weight of 950.98 g/mol. Its IUPAC name is bis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);2-pyridin-2-ylpyridine.

Molecular Properties

Compound Namebis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);2-pyridin-2-ylpyridine
PubChem CID140775460
Molecular FormulaC42H30F6N8Os
Molecular Weight950.98 g/mol
Exact Mass952.21
IUPAC Namebis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);2-pyridin-2-ylpyridine
SMILESCc1cc(-c2cc(C(F)(F)F)n[n-]2)ncc1-c1ccccc1.Cc1cc(-c2cc(C(F)(F)F)n[n-]2)ncc1-c1ccccc1.[Os+2].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C16H11F3N3.C10H8N2.Os/c2*1-10-7-13(14-8-15(22-21-14)16(17,18)19)20-9-12(10)11-5-3-2-4-6-11;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h2*2-9H,1H3;1-8H;/q2*-1;;+2
InChIKeyUBXKIDIBSTURCL-UHFFFAOYSA-N
XLogP10.33
TPSA105.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500950.98
LogP ≤ 510.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-5-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]pyridine
CID 168822169
4-(1,3-dimethylnaphthalen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 140780300
2-[2-[bis(2-pyridin-2-ylphenyl)methyl]phenyl]-4-methyl-5-phenylpyridine
CID 146333792
2-(2,4-difluoro-3-phenylbenzene-6-id-1-yl)pyridine;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 58880819
iridium;tris(4-methyl-2,5-diphenylpyridine)
CID 158257140
ethane;4-methyl-2-(4-methylphenyl)-5-phenylpyridine
CID 142296902
bis(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);tetrakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 158317289
3-(4-fluorobenzene-6-id-1-yl)-6-methylpyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 168793708
iridium;4-methyl-5-phenyl-2-phenylpyridine;phenylbenzene;2-phenylpyridine
CID 164769072
3-(2,4-difluorobenzene-6-id-1-yl)-6-methylpyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 168793697
2-(4-methyl-5-phenyl-2-pyridin-2-ylphenyl)pyridine
CID 146397355
2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium(3+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 59729593

Frequently Asked Questions

What is the IUPAC name of bis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);2-pyridin-2-ylpyridine?
The IUPAC name of bis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);2-pyridin-2-ylpyridine (CID 140775460) is bis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);2-pyridin-2-ylpyridine.
What is the SMILES notation for bis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);2-pyridin-2-ylpyridine?
The canonical SMILES for bis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);2-pyridin-2-ylpyridine is Cc1cc(-c2cc(C(F)(F)F)n[n-]2)ncc1-c1ccccc1.Cc1cc(-c2cc(C(F)(F)F)n[n-]2)ncc1-c1ccccc1.[Os+2].c1ccc(-c2ccccn2)nc1.
What is the InChIKey of bis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);2-pyridin-2-ylpyridine?
The InChIKey is UBXKIDIBSTURCL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H11F3N3.C10H8N2.Os/c2*1-10-7-13(14-8-15(22-21-14)16(17,18)19)20-9-12(10)11-5-3-2-4-6-11;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h2*2-9H,1H3;1-8H;/q2*-1;;+2.
What are the key properties of bis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);2-pyridin-2-ylpyridine?
bis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);2-pyridin-2-ylpyridine has a molecular weight of 950.98 g/mol, XLogP of 10.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);2-pyridin-2-ylpyridine is sourced from PubChem (CID 140775460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).