Osmium(2+);1-[2-(phospholan-1-ium-1-yl)phenyl]phospholan-1-ium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine

C32H32F6N6OsP2+2 — CID 168354058

IUPACosmium(2+);1-[2-(phospholan-1-ium-1-yl)phenyl]phospholan-1-ium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine
SMILESC1CC[PH+](C1)C2=CC=CC=C2[PH+]3CCCC3.C1=CC=NC(=C1)C2=CC(=N[N-]2)C(F)(F)F.C1=CC=NC(=C1)C2=N[N-]C(=C2)C(F)(F)F.[Os+2]
InChIInChI=1S/C14H20P2.2C9H5F3N3.Os/c1-2-8-14(16-11-5-6-12-16)13(7-1)15-9-3-4-10-15;2*10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;/h1-2,7-8H,3-6,9-12H2;2*1-5H;/q;2*-1;+2/p+2
InChIKeyKSCQNDZYMOTWFL-UHFFFAOYSA-P
MW866.80 g/mol
LogP—
Rot. Bonds

About Osmium(2+);1-[2-(phospholan-1-ium-1-yl)phenyl]phospholan-1-ium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine

Osmium(2+);1-[2-(phospholan-1-ium-1-yl)phenyl]phospholan-1-ium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine (PubChem CID 168354058) has the molecular formula C32H32F6N6OsP2+2 and a molecular weight of 866.80 g/mol. Its IUPAC name is osmium(2+);1-[2-(phospholan-1-ium-1-yl)phenyl]phospholan-1-ium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine.

Molecular Properties

Compound NameOsmium(2+);1-[2-(phospholan-1-ium-1-yl)phenyl]phospholan-1-ium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine
PubChem CID168354058
Molecular FormulaC32H32F6N6OsP2+2
Molecular Weight866.80 g/mol
Exact Mass868.17
IUPAC Nameosmium(2+);1-[2-(phospholan-1-ium-1-yl)phenyl]phospholan-1-ium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine
SMILESC1CC[PH+](C1)C2=CC=CC=C2[PH+]3CCCC3.C1=CC=NC(=C1)C2=CC(=N[N-]2)C(F)(F)F.C1=CC=NC(=C1)C2=N[N-]C(=C2)C(F)(F)F.[Os+2]
InChIInChI=1S/C14H20P2.2C9H5F3N3.Os/c1-2-8-14(16-11-5-6-12-16)13(7-1)15-9-3-4-10-15;2*10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;/h1-2,7-8H,3-6,9-12H2;2*1-5H;/q;2*-1;+2/p+2
InChIKeyKSCQNDZYMOTWFL-UHFFFAOYSA-P
XLogP—
TPSA53.60 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms47
Complexity825

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500866.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

Platinum(2+);pyrazol-1-ide;2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 139131682
3,5-Dimethylpyrazol-1-ide;bis(platinum(2+));propan-2-one;bis(2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexafluorophosphate;hydrate
CID 139131683
3,5-Bis(trifluoromethyl)pyrazol-1-ide;platinum(2+);2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 139131685
Bis(2-[5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-id-3-yl]pyridine);platinum(2+)
CID 139138252
Bis(platinum(2+));propan-2-one;bis(pyrazol-1-ide);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 139141460
Dicopper;acetonitrile;2,6-bis[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 139160035
Bis(5-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);platinum(2+)
CID 168338735
2,6-Bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum(2+);triphenylphosphanium
CID 168345668
bis(copper(1+));bis(4-diphenylphosphaniumylbutyl(diphenyl)phosphanium);bis(2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine);diperchlorate
CID 168348413
2-[2,4-Bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;5-fluoro-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;iridium
CID 20807176
2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 20807191
2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;2-[4-fluoro-5-(trifluoromethyl)pyrazol-2-id-3-yl]pyridine;iridium
CID 20807199

Frequently Asked Questions

What is the IUPAC name of Osmium(2+);1-[2-(phospholan-1-ium-1-yl)phenyl]phospholan-1-ium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine?
The IUPAC name of Osmium(2+);1-[2-(phospholan-1-ium-1-yl)phenyl]phospholan-1-ium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine (CID 168354058) is osmium(2+);1-[2-(phospholan-1-ium-1-yl)phenyl]phospholan-1-ium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine.
What is the SMILES notation for Osmium(2+);1-[2-(phospholan-1-ium-1-yl)phenyl]phospholan-1-ium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine?
The canonical SMILES for Osmium(2+);1-[2-(phospholan-1-ium-1-yl)phenyl]phospholan-1-ium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine is C1CC[PH+](C1)C2=CC=CC=C2[PH+]3CCCC3.C1=CC=NC(=C1)C2=CC(=N[N-]2)C(F)(F)F.C1=CC=NC(=C1)C2=N[N-]C(=C2)C(F)(F)F.[Os+2].
What is the InChIKey of Osmium(2+);1-[2-(phospholan-1-ium-1-yl)phenyl]phospholan-1-ium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine?
The InChIKey is KSCQNDZYMOTWFL-UHFFFAOYSA-P. The full InChI is InChI=1S/C14H20P2.2C9H5F3N3.Os/c1-2-8-14(16-11-5-6-12-16)13(7-1)15-9-3-4-10-15;2*10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;/h1-2,7-8H,3-6,9-12H2;2*1-5H;/q;2*-1;+2/p+2.
What are the key properties of Osmium(2+);1-[2-(phospholan-1-ium-1-yl)phenyl]phospholan-1-ium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine?
Osmium(2+);1-[2-(phospholan-1-ium-1-yl)phenyl]phospholan-1-ium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine has a molecular weight of 866.80 g/mol, XLogP of not available, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for Osmium(2+);1-[2-(phospholan-1-ium-1-yl)phenyl]phospholan-1-ium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine is sourced from PubChem (CID 168354058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).