bis(methyl(diphenyl)phosphanium);bis(4-(2-methylpropyl)-5-phenyl-2-[4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+)

C100H102F6N6OsP2+2 — CID 155769379

IUPACbis(methyl(diphenyl)phosphanium);bis(4-(2-methylpropyl)-5-phenyl-2-[4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+)
SMILESCC(C)Cc1cc(-c2[n-]nc(C(F)(F)F)c2-c2c(C(C)C)cc(-c3ccccc3)cc2C(C)C)ncc1-c1ccccc1.CC(C)Cc1cc(-c2[n-]nc(C(F)(F)F)c2-c2c(C(C)C)cc(-c3ccccc3)cc2C(C)C)ncc1-c1ccccc1.C[PH+](c1ccccc1)c1ccccc1.C[PH+](c1ccccc1)c1ccccc1.[Os+2]
InChIInChI=1S/2C37H37F3N3.2C13H13P.Os/c2*1-22(2)17-28-20-32(41-21-31(28)26-15-11-8-12-16-26)35-34(36(43-42-35)37(38,39)40)33-29(23(3)4)18-27(19-30(33)24(5)6)25-13-9-7-10-14-25;2*1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;/h2*7-16,18-24H,17H2,1-6H3;2*2-11H,1H3;/q2*-1;;;+2/p+2
InChIKeyXMAGFOMBBRVHPT-UHFFFAOYSA-P
MW1754.12 g/mol
LogP26.09
Rot. Bonds20

About bis(methyl(diphenyl)phosphanium);bis(4-(2-methylpropyl)-5-phenyl-2-[4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+)

bis(methyl(diphenyl)phosphanium);bis(4-(2-methylpropyl)-5-phenyl-2-[4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+) (PubChem CID 155769379) has the molecular formula C100H102F6N6OsP2+2 and a molecular weight of 1754.12 g/mol. Its IUPAC name is bis(methyl(diphenyl)phosphanium);bis(4-(2-methylpropyl)-5-phenyl-2-[4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+).

Molecular Properties

Compound Namebis(methyl(diphenyl)phosphanium);bis(4-(2-methylpropyl)-5-phenyl-2-[4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+)
PubChem CID155769379
Molecular FormulaC100H102F6N6OsP2+2
Molecular Weight1754.12 g/mol
Exact Mass1754.71
IUPAC Namebis(methyl(diphenyl)phosphanium);bis(4-(2-methylpropyl)-5-phenyl-2-[4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+)
SMILESCC(C)Cc1cc(-c2[n-]nc(C(F)(F)F)c2-c2c(C(C)C)cc(-c3ccccc3)cc2C(C)C)ncc1-c1ccccc1.CC(C)Cc1cc(-c2[n-]nc(C(F)(F)F)c2-c2c(C(C)C)cc(-c3ccccc3)cc2C(C)C)ncc1-c1ccccc1.C[PH+](c1ccccc1)c1ccccc1.C[PH+](c1ccccc1)c1ccccc1.[Os+2]
InChIInChI=1S/2C37H37F3N3.2C13H13P.Os/c2*1-22(2)17-28-20-32(41-21-31(28)26-15-11-8-12-16-26)35-34(36(43-42-35)37(38,39)40)33-29(23(3)4)18-27(19-30(33)24(5)6)25-13-9-7-10-14-25;2*1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;/h2*7-16,18-24H,17H2,1-6H3;2*2-11H,1H3;/q2*-1;;;+2/p+2
InChIKeyXMAGFOMBBRVHPT-UHFFFAOYSA-P
XLogP26.09
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms115
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001754.12
LogP ≤ 526.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2,6-Di(propan-2-yl)phenyl]-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline;4-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)pyrazol-1-id-3-yl]isoquinoline;platinum(2+)
CID 139165520
Bis(4-[2,6-di(propan-2-yl)phenyl]-2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine);ethyl acetate;platinum(2+)
CID 168338734
Bis(5-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);platinum(2+)
CID 168338735
Bis(dichloromethane);platinum(2+);3-(trifluoromethyl)-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide;4-(2,4,6-trimethylphenyl)-2-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine
CID 168338993
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
Methyl(diphenyl)phosphanium;methylphosphane;osmium(2+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 57604186
[4-[4-[2-(2,4-Difluorobenzene-6-id-1-yl)-4-pyridinyl]hexan-2-yl]phenyl]-diphenyl-(2-pyridin-3-ylphenyl)silane;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57703338
Bis(dimethyl(phenyl)phosphanium);2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 58240128
Diphenyl(phenylmethyl)phosphanium;iridium(3+);2-(5-methylpyrazol-2-id-3-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 58567852
1-[[3-Fluoro-2-methanidyl-6-(trifluoromethyl)phenyl]methyl]pyrazole;1-[(5-fluoro-2-methylbenzene-6-id-1-yl)methyl]pyrazole;iridium(3+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 58567856
Diphenyl(phenylmethyl)phosphanium;iridium;3-methyl-5-phenylpyrazol-1-ide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 58567860
2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;iridium(3+);bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 59729586

Frequently Asked Questions

What is the IUPAC name of bis(methyl(diphenyl)phosphanium);bis(4-(2-methylpropyl)-5-phenyl-2-[4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+)?
The IUPAC name of bis(methyl(diphenyl)phosphanium);bis(4-(2-methylpropyl)-5-phenyl-2-[4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+) (CID 155769379) is bis(methyl(diphenyl)phosphanium);bis(4-(2-methylpropyl)-5-phenyl-2-[4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+).
What is the SMILES notation for bis(methyl(diphenyl)phosphanium);bis(4-(2-methylpropyl)-5-phenyl-2-[4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+)?
The canonical SMILES for bis(methyl(diphenyl)phosphanium);bis(4-(2-methylpropyl)-5-phenyl-2-[4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+) is CC(C)Cc1cc(-c2[n-]nc(C(F)(F)F)c2-c2c(C(C)C)cc(-c3ccccc3)cc2C(C)C)ncc1-c1ccccc1.CC(C)Cc1cc(-c2[n-]nc(C(F)(F)F)c2-c2c(C(C)C)cc(-c3ccccc3)cc2C(C)C)ncc1-c1ccccc1.C[PH+](c1ccccc1)c1ccccc1.C[PH+](c1ccccc1)c1ccccc1.[Os+2].
What is the InChIKey of bis(methyl(diphenyl)phosphanium);bis(4-(2-methylpropyl)-5-phenyl-2-[4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+)?
The InChIKey is XMAGFOMBBRVHPT-UHFFFAOYSA-P. The full InChI is InChI=1S/2C37H37F3N3.2C13H13P.Os/c2*1-22(2)17-28-20-32(41-21-31(28)26-15-11-8-12-16-26)35-34(36(43-42-35)37(38,39)40)33-29(23(3)4)18-27(19-30(33)24(5)6)25-13-9-7-10-14-25;2*1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;/h2*7-16,18-24H,17H2,1-6H3;2*2-11H,1H3;/q2*-1;;;+2/p+2.
What are the key properties of bis(methyl(diphenyl)phosphanium);bis(4-(2-methylpropyl)-5-phenyl-2-[4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+)?
bis(methyl(diphenyl)phosphanium);bis(4-(2-methylpropyl)-5-phenyl-2-[4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+) has a molecular weight of 1754.12 g/mol, XLogP of 26.09, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(methyl(diphenyl)phosphanium);bis(4-(2-methylpropyl)-5-phenyl-2-[4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+) is sourced from PubChem (CID 155769379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).