diphenylphosphorylbenzene;iridium;9-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide

C41H29IrN2OP-2 — CID 164702154

IUPACdiphenylphosphorylbenzene;iridium;9-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide
SMILESO=P(c1[c-]cccc1)(c1ccccc1)c1ccccc1.[Ir].[c-]1ccc2c3ccccc3n(-c3ccccc3)c2c1-c1ccccn1
InChIInChI=1S/C23H15N2.C18H14OP.Ir/c1-2-9-17(10-3-1)25-22-15-5-4-11-18(22)19-12-8-13-20(23(19)25)21-14-6-7-16-24-21;19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-12,14-16H;1-14H;/q2*-1;
InChIKeyAISLAWGHFFOPDF-UHFFFAOYSA-N
MW788.89 g/mol
LogP8.77
Rot. Bonds5

About diphenylphosphorylbenzene;iridium;9-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide

diphenylphosphorylbenzene;iridium;9-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide (PubChem CID 164702154) has the molecular formula C41H29IrN2OP-2 and a molecular weight of 788.89 g/mol. Its IUPAC name is diphenylphosphorylbenzene;iridium;9-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide.

Molecular Properties

Compound Namediphenylphosphorylbenzene;iridium;9-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide
PubChem CID164702154
Molecular FormulaC41H29IrN2OP-2
Molecular Weight788.89 g/mol
Exact Mass789.17
IUPAC Namediphenylphosphorylbenzene;iridium;9-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide
SMILESO=P(c1[c-]cccc1)(c1ccccc1)c1ccccc1.[Ir].[c-]1ccc2c3ccccc3n(-c3ccccc3)c2c1-c1ccccn1
InChIInChI=1S/C23H15N2.C18H14OP.Ir/c1-2-9-17(10-3-1)25-22-15-5-4-11-18(22)19-12-8-13-20(23(19)25)21-14-6-7-16-24-21;19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-12,14-16H;1-14H;/q2*-1;
InChIKeyAISLAWGHFFOPDF-UHFFFAOYSA-N
XLogP8.77
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.89
LogP ≤ 58.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3H-dibenzofuran-3-id-4-yl)pyridine;diphenylphosphorylbenzene;iridium
CID 164702147
dicyclohexylphosphorylbenzene;iridium;9-methyl-1-pyridin-2-yl-2H-carbazol-2-ide
CID 164702277
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;iridium;2-phenylpyridine
CID 161358611
9-[4-[6-(4-carbazol-9-ylbenzene-6-id-1-yl)-1,2,4,5-tetrazin-3-yl]phenyl]carbazole;iridium;9-methyl-1-pyridin-2-yl-2H-carbazol-2-ide
CID 153468266
iridium;2-phenylpyridine;9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole
CID 21042137
iridium(3+);9-(2-methylpropyl)-1-pyridin-2-yl-2H-carbazol-2-ide;bis(2-phenylpyridine)
CID 59500210
1-phenyl-3-(1-phenyl-2-pyridin-2-ylindol-3-yl)-2-pyridin-2-ylindole
CID 101437629
iridium;2-phenylpyridine;9-phenyl-3-[3-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]phenyl]carbazole
CID 153423282
5-(2,6-dipyridin-2-ylphenyl)-12-phenylindolo[3,2-c]carbazole
CID 145009858
iridium;2-phenylpyridine;9-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]carbazole
CID 153423489
2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;pentakis(diphenylphosphorylbenzene);pentakis(iridium);3-phenylisoquinoline;2-phenylpyridine;2-phenylquinoline
CID 163819827
CID 177271340
CID 177271340

Frequently Asked Questions

What is the IUPAC name of diphenylphosphorylbenzene;iridium;9-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide?
The IUPAC name of diphenylphosphorylbenzene;iridium;9-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide (CID 164702154) is diphenylphosphorylbenzene;iridium;9-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide.
What is the SMILES notation for diphenylphosphorylbenzene;iridium;9-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide?
The canonical SMILES for diphenylphosphorylbenzene;iridium;9-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide is O=P(c1[c-]cccc1)(c1ccccc1)c1ccccc1.[Ir].[c-]1ccc2c3ccccc3n(-c3ccccc3)c2c1-c1ccccn1.
What is the InChIKey of diphenylphosphorylbenzene;iridium;9-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide?
The InChIKey is AISLAWGHFFOPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N2.C18H14OP.Ir/c1-2-9-17(10-3-1)25-22-15-5-4-11-18(22)19-12-8-13-20(23(19)25)21-14-6-7-16-24-21;19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-12,14-16H;1-14H;/q2*-1;.
What are the key properties of diphenylphosphorylbenzene;iridium;9-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide?
diphenylphosphorylbenzene;iridium;9-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide has a molecular weight of 788.89 g/mol, XLogP of 8.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphorylbenzene;iridium;9-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide is sourced from PubChem (CID 164702154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).