iridium;6-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-5-phenylimidazo[4,5-e][1,2,4]triazine;2-phenylpyridine

C37H22IrN6O-2 — CID 164825623

IUPACiridium;6-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-5-phenylimidazo[4,5-e][1,2,4]triazine;2-phenylpyridine
SMILES[Ir].[c-]1ccc2c(oc3c4ccccc4ccc23)c1-c1nc2nncnc2n1-c1ccccc1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C26H14N5O.C11H8N.Ir/c1-2-8-17(9-3-1)31-25(29-24-26(31)27-15-28-30-24)21-12-6-11-19-20-14-13-16-7-4-5-10-18(16)22(20)32-23(19)21;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-11,13-15H;1-6,8-9H;/q2*-1;
InChIKeyXOZBUIJAGKDMNY-UHFFFAOYSA-N
MW758.84 g/mol
LogP8.28
Rot. Bonds3

About iridium;6-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-5-phenylimidazo[4,5-e][1,2,4]triazine;2-phenylpyridine

iridium;6-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-5-phenylimidazo[4,5-e][1,2,4]triazine;2-phenylpyridine (PubChem CID 164825623) has the molecular formula C37H22IrN6O-2 and a molecular weight of 758.84 g/mol. Its IUPAC name is iridium;6-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-5-phenylimidazo[4,5-e][1,2,4]triazine;2-phenylpyridine.

Molecular Properties

Compound Nameiridium;6-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-5-phenylimidazo[4,5-e][1,2,4]triazine;2-phenylpyridine
PubChem CID164825623
Molecular FormulaC37H22IrN6O-2
Molecular Weight758.84 g/mol
Exact Mass759.15
IUPAC Nameiridium;6-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-5-phenylimidazo[4,5-e][1,2,4]triazine;2-phenylpyridine
SMILES[Ir].[c-]1ccc2c(oc3c4ccccc4ccc23)c1-c1nc2nncnc2n1-c1ccccc1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C26H14N5O.C11H8N.Ir/c1-2-8-17(9-3-1)31-25(29-24-26(31)27-15-28-30-24)21-12-6-11-19-20-14-13-16-7-4-5-10-18(16)22(20)32-23(19)21;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-11,13-15H;1-6,8-9H;/q2*-1;
InChIKeyXOZBUIJAGKDMNY-UHFFFAOYSA-N
XLogP8.28
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.84
LogP ≤ 58.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-tert-butyl-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-1-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine
CID 164827238
iridium;2-phenylpyridine;trimethyl-[6-(7-phenylimidazo[4,5-e][1,2,4]triazin-6-yl)-7H-dibenzofuran-7-id-3-yl]silane
CID 164825208
iridium;6-methyl-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-3-phenylimidazo[4,5-c]pyridine;2-phenylpyridine
CID 164824410
iridium;6-methyl-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-1-phenylimidazo[4,5-c]pyridine;2-phenylpyridine
CID 164826646
iridium;2-methyl-8-(5-phenylimidazo[4,5-e]tetrazin-6-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenylpyridine
CID 164827363
2-(3H-dibenzofuran-3-id-4-yl)-3,5-diphenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine
CID 164825468
2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-3-phenylimidazo[4,5-c]cinnoline;iridium;2-phenylpyridine
CID 164826269
2-[7-(2-deuteriopropan-2-yl)-3H-dibenzofuran-3-id-4-yl]-3-phenylimidazo[4,5-b]pyrazine;iridium;2-phenylpyridine
CID 164825816
iridium;6-methyl-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-1-phenylimidazo[4,5-b]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 164827131
iridium(3+);2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-1-phenylbenzimidazole;2-phenyl-5-[2-[3-[2-(3-pyridin-2-ylbenzene-4-id-1-yl)ethyl]phenyl]ethyl]pyridine
CID 171438391
iridium;2-methyl-8-(1-phenylimidazo[4,5-b]pyridin-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenylpyridine
CID 164825325
2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-5-methyl-3-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine
CID 164826899

Frequently Asked Questions

What is the IUPAC name of iridium;6-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-5-phenylimidazo[4,5-e][1,2,4]triazine;2-phenylpyridine?
The IUPAC name of iridium;6-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-5-phenylimidazo[4,5-e][1,2,4]triazine;2-phenylpyridine (CID 164825623) is iridium;6-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-5-phenylimidazo[4,5-e][1,2,4]triazine;2-phenylpyridine.
What is the SMILES notation for iridium;6-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-5-phenylimidazo[4,5-e][1,2,4]triazine;2-phenylpyridine?
The canonical SMILES for iridium;6-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-5-phenylimidazo[4,5-e][1,2,4]triazine;2-phenylpyridine is [Ir].[c-]1ccc2c(oc3c4ccccc4ccc23)c1-c1nc2nncnc2n1-c1ccccc1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of iridium;6-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-5-phenylimidazo[4,5-e][1,2,4]triazine;2-phenylpyridine?
The InChIKey is XOZBUIJAGKDMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14N5O.C11H8N.Ir/c1-2-8-17(9-3-1)31-25(29-24-26(31)27-15-28-30-24)21-12-6-11-19-20-14-13-16-7-4-5-10-18(16)22(20)32-23(19)21;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-11,13-15H;1-6,8-9H;/q2*-1;.
What are the key properties of iridium;6-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-5-phenylimidazo[4,5-e][1,2,4]triazine;2-phenylpyridine?
iridium;6-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-5-phenylimidazo[4,5-e][1,2,4]triazine;2-phenylpyridine has a molecular weight of 758.84 g/mol, XLogP of 8.28, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;6-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-5-phenylimidazo[4,5-e][1,2,4]triazine;2-phenylpyridine is sourced from PubChem (CID 164825623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).