iridium(3+);tris(phenyl-[2-[[3-(trifluoromethyl)phenyl]methyl]phenyl]phosphinate)

C60H45F9IrO6P3 — CID 159802429

IUPACiridium(3+);tris(phenyl-[2-[[3-(trifluoromethyl)phenyl]methyl]phenyl]phosphinate)
SMILESO=P([O-])(c1ccccc1)c1ccccc1Cc1cccc(C(F)(F)F)c1.O=P([O-])(c1ccccc1)c1ccccc1Cc1cccc(C(F)(F)F)c1.O=P([O-])(c1ccccc1)c1ccccc1Cc1cccc(C(F)(F)F)c1.[Ir+3]
InChIInChI=1S/3C20H16F3O2P.Ir/c3*21-20(22,23)17-9-6-7-15(14-17)13-16-8-4-5-12-19(16)26(24,25)18-10-2-1-3-11-18;/h3*1-12,14H,13H2,(H,24,25);/q;;;+3/p-3
InChIKeyNJYQNJQGJZDJQX-UHFFFAOYSA-K
MW1318.13 g/mol
LogP11.65
Rot. Bonds12

About iridium(3+);tris(phenyl-[2-[[3-(trifluoromethyl)phenyl]methyl]phenyl]phosphinate)

iridium(3+);tris(phenyl-[2-[[3-(trifluoromethyl)phenyl]methyl]phenyl]phosphinate) (PubChem CID 159802429) has the molecular formula C60H45F9IrO6P3 and a molecular weight of 1318.13 g/mol. Its IUPAC name is iridium(3+);tris(phenyl-[2-[[3-(trifluoromethyl)phenyl]methyl]phenyl]phosphinate).

Molecular Properties

Compound Nameiridium(3+);tris(phenyl-[2-[[3-(trifluoromethyl)phenyl]methyl]phenyl]phosphinate)
PubChem CID159802429
Molecular FormulaC60H45F9IrO6P3
Molecular Weight1318.13 g/mol
Exact Mass1318.19
IUPAC Nameiridium(3+);tris(phenyl-[2-[[3-(trifluoromethyl)phenyl]methyl]phenyl]phosphinate)
SMILESO=P([O-])(c1ccccc1)c1ccccc1Cc1cccc(C(F)(F)F)c1.O=P([O-])(c1ccccc1)c1ccccc1Cc1cccc(C(F)(F)F)c1.O=P([O-])(c1ccccc1)c1ccccc1Cc1cccc(C(F)(F)F)c1.[Ir+3]
InChIInChI=1S/3C20H16F3O2P.Ir/c3*21-20(22,23)17-9-6-7-15(14-17)13-16-8-4-5-12-19(16)26(24,25)18-10-2-1-3-11-18;/h3*1-12,14H,13H2,(H,24,25);/q;;;+3/p-3
InChIKeyNJYQNJQGJZDJQX-UHFFFAOYSA-K
XLogP11.65
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001318.13
LogP ≤ 511.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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[3-(trifluoromethyl)phenyl]methylphosphonamidic acid
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1-(2-bromophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 62829314
1,3-dinitro-2-[[3-(trifluoromethyl)phenyl]methyl]benzene
CID 22950728
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CID 150084346
N-(4-anilinophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 161345978
2-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 2569861
N-methyl-N-oxido-1-[3-(trifluoromethyl)phenyl]methanamine
CID 163878102
1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzene
CID 122368794
2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 121010377
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577

Frequently Asked Questions

What is the IUPAC name of iridium(3+);tris(phenyl-[2-[[3-(trifluoromethyl)phenyl]methyl]phenyl]phosphinate)?
The IUPAC name of iridium(3+);tris(phenyl-[2-[[3-(trifluoromethyl)phenyl]methyl]phenyl]phosphinate) (CID 159802429) is iridium(3+);tris(phenyl-[2-[[3-(trifluoromethyl)phenyl]methyl]phenyl]phosphinate).
What is the SMILES notation for iridium(3+);tris(phenyl-[2-[[3-(trifluoromethyl)phenyl]methyl]phenyl]phosphinate)?
The canonical SMILES for iridium(3+);tris(phenyl-[2-[[3-(trifluoromethyl)phenyl]methyl]phenyl]phosphinate) is O=P([O-])(c1ccccc1)c1ccccc1Cc1cccc(C(F)(F)F)c1.O=P([O-])(c1ccccc1)c1ccccc1Cc1cccc(C(F)(F)F)c1.O=P([O-])(c1ccccc1)c1ccccc1Cc1cccc(C(F)(F)F)c1.[Ir+3].
What is the InChIKey of iridium(3+);tris(phenyl-[2-[[3-(trifluoromethyl)phenyl]methyl]phenyl]phosphinate)?
The InChIKey is NJYQNJQGJZDJQX-UHFFFAOYSA-K. The full InChI is InChI=1S/3C20H16F3O2P.Ir/c3*21-20(22,23)17-9-6-7-15(14-17)13-16-8-4-5-12-19(16)26(24,25)18-10-2-1-3-11-18;/h3*1-12,14H,13H2,(H,24,25);/q;;;+3/p-3.
What are the key properties of iridium(3+);tris(phenyl-[2-[[3-(trifluoromethyl)phenyl]methyl]phenyl]phosphinate)?
iridium(3+);tris(phenyl-[2-[[3-(trifluoromethyl)phenyl]methyl]phenyl]phosphinate) has a molecular weight of 1318.13 g/mol, XLogP of 11.65, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for iridium(3+);tris(phenyl-[2-[[3-(trifluoromethyl)phenyl]methyl]phenyl]phosphinate) is sourced from PubChem (CID 159802429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).