dimethyl(phenyl)phosphane;osmium;bis(2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine)

C26H23F6N6OsP — CID 175190624

IUPACdimethyl(phenyl)phosphane;osmium;bis(2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine)
SMILESCP(C)c1ccccc1.FC(F)(F)c1cc(-c2ccccn2)n[nH]1.FC(F)(F)c1cc(-c2ccccn2)n[nH]1.[Os]
InChIInChI=1S/2C9H6F3N3.C8H11P.Os/c2*10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-9(2)8-6-4-3-5-7-8;/h2*1-5H,(H,14,15);3-7H,1-2H3;
InChIKeyZMZMATBYPXWUPO-UHFFFAOYSA-N
MW754.70 g/mol
LogP7.03
Rot. Bonds3

About dimethyl(phenyl)phosphane;osmium;bis(2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine)

dimethyl(phenyl)phosphane;osmium;bis(2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine) (PubChem CID 175190624) has the molecular formula C26H23F6N6OsP and a molecular weight of 754.70 g/mol. Its IUPAC name is dimethyl(phenyl)phosphane;osmium;bis(2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine).

Molecular Properties

Compound Namedimethyl(phenyl)phosphane;osmium;bis(2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine)
PubChem CID175190624
Molecular FormulaC26H23F6N6OsP
Molecular Weight754.70 g/mol
Exact Mass756.12
IUPAC Namedimethyl(phenyl)phosphane;osmium;bis(2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine)
SMILESCP(C)c1ccccc1.FC(F)(F)c1cc(-c2ccccn2)n[nH]1.FC(F)(F)c1cc(-c2ccccn2)n[nH]1.[Os]
InChIInChI=1S/2C9H6F3N3.C8H11P.Os/c2*10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-9(2)8-6-4-3-5-7-8;/h2*1-5H,(H,14,15);3-7H,1-2H3;
InChIKeyZMZMATBYPXWUPO-UHFFFAOYSA-N
XLogP7.03
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.70
LogP ≤ 57.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ruthenium;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 158678691
2-(2,4-difluorophenyl)pyridine;ruthenium;bis(2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine)
CID 161496314
4-pyridin-2-yl-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 113241920
[2-[(2,4-difluorophenyl)methyl]phenyl]-phenylphosphinic acid;iridium;bis(2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine)
CID 160547510
2-[3-(3-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]pyridine
CID 159749532
disodium;hydride;2-pyridin-2-ylpyridine
CID 174959125
iridium;2-pyridin-2-ylpyridine;ruthenium
CID 174707743
4-(1-benzylpyrrol-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 126729679
2-pyridin-2-yl-6-(trifluoromethyl)pyridine
CID 72771068
2-(4-tert-butylphenyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 129314749
CID 154704206
CID 154704206
4-pyridin-2-yl-2,6-bis(trifluoromethyl)pyridine
CID 122219942

Frequently Asked Questions

What is the IUPAC name of dimethyl(phenyl)phosphane;osmium;bis(2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine)?
The IUPAC name of dimethyl(phenyl)phosphane;osmium;bis(2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine) (CID 175190624) is dimethyl(phenyl)phosphane;osmium;bis(2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine).
What is the SMILES notation for dimethyl(phenyl)phosphane;osmium;bis(2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine)?
The canonical SMILES for dimethyl(phenyl)phosphane;osmium;bis(2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine) is CP(C)c1ccccc1.FC(F)(F)c1cc(-c2ccccn2)n[nH]1.FC(F)(F)c1cc(-c2ccccn2)n[nH]1.[Os].
What is the InChIKey of dimethyl(phenyl)phosphane;osmium;bis(2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine)?
The InChIKey is ZMZMATBYPXWUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H6F3N3.C8H11P.Os/c2*10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-9(2)8-6-4-3-5-7-8;/h2*1-5H,(H,14,15);3-7H,1-2H3;.
What are the key properties of dimethyl(phenyl)phosphane;osmium;bis(2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine)?
dimethyl(phenyl)phosphane;osmium;bis(2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine) has a molecular weight of 754.70 g/mol, XLogP of 7.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(phenyl)phosphane;osmium;bis(2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine) is sourced from PubChem (CID 175190624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).