benzhydryl-bis[5-(4-tert-butyl-2-pyridinyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]phosphane;osmium(2+)

C37H35F6N8OsP+2 — CID 160530129

IUPACbenzhydryl-bis[5-(4-tert-butyl-2-pyridinyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]phosphane;osmium(2+)
SMILESCC(C)(C)c1ccnc(-c2nc(C(F)(F)F)nn2P(C(c2ccccc2)c2ccccc2)n2nc(C(F)(F)F)nc2-c2cc(C(C)(C)C)ccn2)c1.[Os+2]
InChIInChI=1S/C37H35F6N8P.Os/c1-34(2,3)25-17-19-44-27(21-25)30-46-32(36(38,39)40)48-50(30)52(29(23-13-9-7-10-14-23)24-15-11-8-12-16-24)51-31(47-33(49-51)37(41,42)43)28-22-26(18-20-45-28)35(4,5)6;/h7-22,29H,1-6H3;/q;+2
InChIKeyQVKVWMHPXFPWGT-UHFFFAOYSA-N
MW926.93 g/mol
LogP10.12
Rot. Bonds7

About benzhydryl-bis[5-(4-tert-butyl-2-pyridinyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]phosphane;osmium(2+)

benzhydryl-bis[5-(4-tert-butyl-2-pyridinyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]phosphane;osmium(2+) (PubChem CID 160530129) has the molecular formula C37H35F6N8OsP+2 and a molecular weight of 926.93 g/mol. Its IUPAC name is benzhydryl-bis[5-(4-tert-butyl-2-pyridinyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]phosphane;osmium(2+).

Molecular Properties

Compound Namebenzhydryl-bis[5-(4-tert-butyl-2-pyridinyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]phosphane;osmium(2+)
PubChem CID160530129
Molecular FormulaC37H35F6N8OsP+2
Molecular Weight926.93 g/mol
Exact Mass928.22
IUPAC Namebenzhydryl-bis[5-(4-tert-butyl-2-pyridinyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]phosphane;osmium(2+)
SMILESCC(C)(C)c1ccnc(-c2nc(C(F)(F)F)nn2P(C(c2ccccc2)c2ccccc2)n2nc(C(F)(F)F)nc2-c2cc(C(C)(C)C)ccn2)c1.[Os+2]
InChIInChI=1S/C37H35F6N8P.Os/c1-34(2,3)25-17-19-44-27(21-25)30-46-32(36(38,39)40)48-50(30)52(29(23-13-9-7-10-14-23)24-15-11-8-12-16-24)51-31(47-33(49-51)37(41,42)43)28-22-26(18-20-45-28)35(4,5)6;/h7-22,29H,1-6H3;/q;+2
InChIKeyQVKVWMHPXFPWGT-UHFFFAOYSA-N
XLogP10.12
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500926.93
LogP ≤ 510.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze benzhydryl-bis[5-(4-tert-butyl-2-pyridinyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]phosphane;osmium(2+) with MolForge

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Related Compounds

bis(4-tert-butyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);bis(dimethyl(phenyl)phosphane);osmium(2+)
CID 139255009
4-tert-butyl-2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-phenylpyridine
CID 170196288
tris(4-tert-butyl-2-(3-phenylphenyl)pyridine);iridium(3+)
CID 161156371
2-(2-methyl-6-phenylphenyl)-4-(trifluoromethyl)pyridine
CID 138974124
4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;carbanide;platinum(2+)
CID 10962043
2-methyl-5-[5-pyridin-2-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenethiol
CID 67119798
2-(4-tert-butyl-2-pyridinyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine
CID 15827510
bis(4-tert-butyl-2-[5-(trifluoromethyl)-2,4-diaza-1-azanidacyclopenta-2,4-dien-3-yl]pyridine);bis(methyl(diphenyl)phosphanium);osmium(2+)
CID 138114785
4-tert-butyl-2-[5-[[3-(4-tert-butyl-2-pyridinyl)-4-fluorophenyl]-phenylphosphoryl]-2-fluorophenyl]pyridine
CID 58661096
[2,3-bis[5-pyridin-2-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]-dimethylphosphane;osmium(2+)
CID 175714901
4-tert-butyl-2-(4-propan-2-ylphenyl)pyridine
CID 178179780
2-(2-fluorophenyl)-4-(trifluoromethyl)pyridine
CID 175224381

Frequently Asked Questions

What is the IUPAC name of benzhydryl-bis[5-(4-tert-butyl-2-pyridinyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]phosphane;osmium(2+)?
The IUPAC name of benzhydryl-bis[5-(4-tert-butyl-2-pyridinyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]phosphane;osmium(2+) (CID 160530129) is benzhydryl-bis[5-(4-tert-butyl-2-pyridinyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]phosphane;osmium(2+).
What is the SMILES notation for benzhydryl-bis[5-(4-tert-butyl-2-pyridinyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]phosphane;osmium(2+)?
The canonical SMILES for benzhydryl-bis[5-(4-tert-butyl-2-pyridinyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]phosphane;osmium(2+) is CC(C)(C)c1ccnc(-c2nc(C(F)(F)F)nn2P(C(c2ccccc2)c2ccccc2)n2nc(C(F)(F)F)nc2-c2cc(C(C)(C)C)ccn2)c1.[Os+2].
What is the InChIKey of benzhydryl-bis[5-(4-tert-butyl-2-pyridinyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]phosphane;osmium(2+)?
The InChIKey is QVKVWMHPXFPWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H35F6N8P.Os/c1-34(2,3)25-17-19-44-27(21-25)30-46-32(36(38,39)40)48-50(30)52(29(23-13-9-7-10-14-23)24-15-11-8-12-16-24)51-31(47-33(49-51)37(41,42)43)28-22-26(18-20-45-28)35(4,5)6;/h7-22,29H,1-6H3;/q;+2.
What are the key properties of benzhydryl-bis[5-(4-tert-butyl-2-pyridinyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]phosphane;osmium(2+)?
benzhydryl-bis[5-(4-tert-butyl-2-pyridinyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]phosphane;osmium(2+) has a molecular weight of 926.93 g/mol, XLogP of 10.12, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl-bis[5-(4-tert-butyl-2-pyridinyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]phosphane;osmium(2+) is sourced from PubChem (CID 160530129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).