carbanide;iridium;2-phenylpyridine;6-pyridin-2-yl-7H-[1]benzofuro[3,2-b]pyridin-7-ide

C28H21IrN3O-2 — CID 140806253

IUPACcarbanide;iridium;2-phenylpyridine;6-pyridin-2-yl-7H-[1]benzofuro[3,2-b]pyridin-7-ide
SMILES[CH3-].[Ir].[c-]1ccc2c(oc3cccnc32)c1-c1ccccn1.c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C16H9N2O.C11H9N.CH3.Ir/c1-2-9-17-13(7-1)11-5-3-6-12-15-14(19-16(11)12)8-4-10-18-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;/h1-4,6-10H;1-9H;1H3;/q-1;;-1;
InChIKeyNXEUDWSDZXHWIL-UHFFFAOYSA-N
MW607.71 g/mol
LogP7.04
Rot. Bonds2

About carbanide;iridium;2-phenylpyridine;6-pyridin-2-yl-7H-[1]benzofuro[3,2-b]pyridin-7-ide

carbanide;iridium;2-phenylpyridine;6-pyridin-2-yl-7H-[1]benzofuro[3,2-b]pyridin-7-ide (PubChem CID 140806253) has the molecular formula C28H21IrN3O-2 and a molecular weight of 607.71 g/mol. Its IUPAC name is carbanide;iridium;2-phenylpyridine;6-pyridin-2-yl-7H-[1]benzofuro[3,2-b]pyridin-7-ide.

Molecular Properties

Compound Namecarbanide;iridium;2-phenylpyridine;6-pyridin-2-yl-7H-[1]benzofuro[3,2-b]pyridin-7-ide
PubChem CID140806253
Molecular FormulaC28H21IrN3O-2
Molecular Weight607.71 g/mol
Exact Mass608.13
IUPAC Namecarbanide;iridium;2-phenylpyridine;6-pyridin-2-yl-7H-[1]benzofuro[3,2-b]pyridin-7-ide
SMILES[CH3-].[Ir].[c-]1ccc2c(oc3cccnc32)c1-c1ccccn1.c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C16H9N2O.C11H9N.CH3.Ir/c1-2-9-17-13(7-1)11-5-3-6-12-15-14(19-16(11)12)8-4-10-18-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;/h1-4,6-10H;1-9H;1H3;/q-1;;-1;
InChIKeyNXEUDWSDZXHWIL-UHFFFAOYSA-N
XLogP7.04
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.71
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;iridium
CID 171576776
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-(1-phenylethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium
CID 162710192
4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium
CID 167425271
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;diphenylphosphorylbenzene;iridium
CID 164702147
9-[5-[6-[6-(1H-carbazol-1-id-9-yl)-3-pyridinyl]hexyl]-2-pyridinyl]-1H-carbazol-1-ide;iridium(3+);6-pyridin-2-yl-7H-[1]benzofuro[3,2-b]pyridin-7-ide
CID 155607567
2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium;4-methyl-5-phenyl-2-phenylpyridine
CID 59500289
2-(9-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenylpyridine
CID 153464733
2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-[3-(1-phenylethyl)benzene-6-id-1-yl]pyridine
CID 162708197
iridium;4-methyl-2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine
CID 156686775
4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;iridium;4-pyridin-2-yl-3H-xanthen-3-id-9-one
CID 171590578

Frequently Asked Questions

What is the IUPAC name of carbanide;iridium;2-phenylpyridine;6-pyridin-2-yl-7H-[1]benzofuro[3,2-b]pyridin-7-ide?
The IUPAC name of carbanide;iridium;2-phenylpyridine;6-pyridin-2-yl-7H-[1]benzofuro[3,2-b]pyridin-7-ide (CID 140806253) is carbanide;iridium;2-phenylpyridine;6-pyridin-2-yl-7H-[1]benzofuro[3,2-b]pyridin-7-ide.
What is the SMILES notation for carbanide;iridium;2-phenylpyridine;6-pyridin-2-yl-7H-[1]benzofuro[3,2-b]pyridin-7-ide?
The canonical SMILES for carbanide;iridium;2-phenylpyridine;6-pyridin-2-yl-7H-[1]benzofuro[3,2-b]pyridin-7-ide is [CH3-].[Ir].[c-]1ccc2c(oc3cccnc32)c1-c1ccccn1.c1ccc(-c2ccccn2)cc1.
What is the InChIKey of carbanide;iridium;2-phenylpyridine;6-pyridin-2-yl-7H-[1]benzofuro[3,2-b]pyridin-7-ide?
The InChIKey is NXEUDWSDZXHWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9N2O.C11H9N.CH3.Ir/c1-2-9-17-13(7-1)11-5-3-6-12-15-14(19-16(11)12)8-4-10-18-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;/h1-4,6-10H;1-9H;1H3;/q-1;;-1;.
What are the key properties of carbanide;iridium;2-phenylpyridine;6-pyridin-2-yl-7H-[1]benzofuro[3,2-b]pyridin-7-ide?
carbanide;iridium;2-phenylpyridine;6-pyridin-2-yl-7H-[1]benzofuro[3,2-b]pyridin-7-ide has a molecular weight of 607.71 g/mol, XLogP of 7.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;iridium;2-phenylpyridine;6-pyridin-2-yl-7H-[1]benzofuro[3,2-b]pyridin-7-ide is sourced from PubChem (CID 140806253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).