2-(3H-dibenzofuran-3-id-4-yl)pyridine;diphenylphosphorylbenzene;iridium

C35H24IrNO2P-2 — CID 164702147

IUPAC2-(3H-dibenzofuran-3-id-4-yl)pyridine;diphenylphosphorylbenzene;iridium
SMILESO=P(c1[c-]cccc1)(c1ccccc1)c1ccccc1.[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1
InChIInChI=1S/C18H14OP.C17H10NO.Ir/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;/h1-14H;1-7,9-11H;/q2*-1;
InChIKeyBDMYJGXGCKVZDH-UHFFFAOYSA-N
MW713.77 g/mol
LogP7.57
Rot. Bonds4

About 2-(3H-dibenzofuran-3-id-4-yl)pyridine;diphenylphosphorylbenzene;iridium

2-(3H-dibenzofuran-3-id-4-yl)pyridine;diphenylphosphorylbenzene;iridium (PubChem CID 164702147) has the molecular formula C35H24IrNO2P-2 and a molecular weight of 713.77 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)pyridine;diphenylphosphorylbenzene;iridium.

Molecular Properties

Compound Name2-(3H-dibenzofuran-3-id-4-yl)pyridine;diphenylphosphorylbenzene;iridium
PubChem CID164702147
Molecular FormulaC35H24IrNO2P-2
Molecular Weight713.77 g/mol
Exact Mass714.12
IUPAC Name2-(3H-dibenzofuran-3-id-4-yl)pyridine;diphenylphosphorylbenzene;iridium
SMILESO=P(c1[c-]cccc1)(c1ccccc1)c1ccccc1.[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1
InChIInChI=1S/C18H14OP.C17H10NO.Ir/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;/h1-14H;1-7,9-11H;/q2*-1;
InChIKeyBDMYJGXGCKVZDH-UHFFFAOYSA-N
XLogP7.57
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.77
LogP ≤ 57.57
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;3-dinaphthalen-2-ylphosphoryl-2H-naphthalen-2-ide;iridium
CID 164702145
diphenylphosphorylbenzene;iridium;9-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide
CID 164702154
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
2-(3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;iridium
CID 171576776
2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium(3+);bis(2-methyl-6-phenylpyridine)
CID 59500229
2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium;5-methyl-2-phenylpyridine
CID 140775803
2-(3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium
CID 162710192
2-(3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;iridium;2-(3-phenylbenzene-6-id-1-yl)pyridine
CID 156686685
2-(3H-dibenzofuran-3-id-4-yl)-4-[dideuterio(phenyl)methyl]pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium
CID 177279388
2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium;4-methyl-5-phenyl-2-phenylpyridine
CID 59500289
2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-[3-(1-phenylethyl)benzene-6-id-1-yl]pyridine
CID 162708197
carbanide;iridium;2-phenylpyridine;6-pyridin-2-yl-7H-[1]benzofuro[3,2-b]pyridin-7-ide
CID 140806253

Frequently Asked Questions

What is the IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)pyridine;diphenylphosphorylbenzene;iridium?
The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)pyridine;diphenylphosphorylbenzene;iridium (CID 164702147) is 2-(3H-dibenzofuran-3-id-4-yl)pyridine;diphenylphosphorylbenzene;iridium.
What is the SMILES notation for 2-(3H-dibenzofuran-3-id-4-yl)pyridine;diphenylphosphorylbenzene;iridium?
The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)pyridine;diphenylphosphorylbenzene;iridium is O=P(c1[c-]cccc1)(c1ccccc1)c1ccccc1.[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.
What is the InChIKey of 2-(3H-dibenzofuran-3-id-4-yl)pyridine;diphenylphosphorylbenzene;iridium?
The InChIKey is BDMYJGXGCKVZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14OP.C17H10NO.Ir/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;/h1-14H;1-7,9-11H;/q2*-1;.
What are the key properties of 2-(3H-dibenzofuran-3-id-4-yl)pyridine;diphenylphosphorylbenzene;iridium?
2-(3H-dibenzofuran-3-id-4-yl)pyridine;diphenylphosphorylbenzene;iridium has a molecular weight of 713.77 g/mol, XLogP of 7.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-dibenzofuran-3-id-4-yl)pyridine;diphenylphosphorylbenzene;iridium is sourced from PubChem (CID 164702147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).