iridium;5-methyl-1-phenyl-2-phenylimidazo[4,5-b]pyridine;2-phenylpyridine

C30H22IrN4-2 — CID 164827189

IUPACiridium;5-methyl-1-phenyl-2-phenylimidazo[4,5-b]pyridine;2-phenylpyridine
SMILESCc1ccc2c(n1)nc(-c1[c-]cccc1)n2-c1ccccc1.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C19H14N3.C11H8N.Ir/c1-14-12-13-17-18(20-14)21-19(15-8-4-2-5-9-15)22(17)16-10-6-3-7-11-16;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-8,10-13H,1H3;1-6,8-9H;/q2*-1;
InChIKeyVLJYNVHYSSGHCT-UHFFFAOYSA-N
MW630.75 g/mol
LogP6.74
Rot. Bonds3

About iridium;5-methyl-1-phenyl-2-phenylimidazo[4,5-b]pyridine;2-phenylpyridine

iridium;5-methyl-1-phenyl-2-phenylimidazo[4,5-b]pyridine;2-phenylpyridine (PubChem CID 164827189) has the molecular formula C30H22IrN4-2 and a molecular weight of 630.75 g/mol. Its IUPAC name is iridium;5-methyl-1-phenyl-2-phenylimidazo[4,5-b]pyridine;2-phenylpyridine.

Molecular Properties

Compound Nameiridium;5-methyl-1-phenyl-2-phenylimidazo[4,5-b]pyridine;2-phenylpyridine
PubChem CID164827189
Molecular FormulaC30H22IrN4-2
Molecular Weight630.75 g/mol
Exact Mass631.15
IUPAC Nameiridium;5-methyl-1-phenyl-2-phenylimidazo[4,5-b]pyridine;2-phenylpyridine
SMILESCc1ccc2c(n1)nc(-c1[c-]cccc1)n2-c1ccccc1.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C19H14N3.C11H8N.Ir/c1-14-12-13-17-18(20-14)21-19(15-8-4-2-5-9-15)22(17)16-10-6-3-7-11-16;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-8,10-13H,1H3;1-6,8-9H;/q2*-1;
InChIKeyVLJYNVHYSSGHCT-UHFFFAOYSA-N
XLogP6.74
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.75
LogP ≤ 56.74
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

1,6-diphenyl-2-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine
CID 164824958
iridium;5-methyl-2-(1-methyl-7-phenyl-3H-dibenzothiophen-3-id-4-yl)-1-phenylimidazo[4,5-b]pyridine;2-phenylpyridine
CID 164827228
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
3,5-diphenyl-2-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine
CID 164826378
iridium;4-methyl-1-phenyl-2-phenylimidazo[4,5-c]quinoline;2-phenylpyridine
CID 164827342
iridium;tris(2-phenylpyridine)
CID 23386734
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
5-tert-butyl-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-1-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine
CID 164825646
6-(3H-dibenzothiophen-3-id-4-yl)-5-phenylimidazo[4,5-c]pyridazine;iridium;2-phenylpyridine
CID 164826092
iridium;1-methyl-4-phenyl-2-phenylimidazole;2-phenylpyridine
CID 170539604
acetic acid;bis(iridium);bis(2-phenylpyridine)
CID 58163263
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;iridium;2-phenylpyridine
CID 161358611

Frequently Asked Questions

What is the IUPAC name of iridium;5-methyl-1-phenyl-2-phenylimidazo[4,5-b]pyridine;2-phenylpyridine?
The IUPAC name of iridium;5-methyl-1-phenyl-2-phenylimidazo[4,5-b]pyridine;2-phenylpyridine (CID 164827189) is iridium;5-methyl-1-phenyl-2-phenylimidazo[4,5-b]pyridine;2-phenylpyridine.
What is the SMILES notation for iridium;5-methyl-1-phenyl-2-phenylimidazo[4,5-b]pyridine;2-phenylpyridine?
The canonical SMILES for iridium;5-methyl-1-phenyl-2-phenylimidazo[4,5-b]pyridine;2-phenylpyridine is Cc1ccc2c(n1)nc(-c1[c-]cccc1)n2-c1ccccc1.[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of iridium;5-methyl-1-phenyl-2-phenylimidazo[4,5-b]pyridine;2-phenylpyridine?
The InChIKey is VLJYNVHYSSGHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N3.C11H8N.Ir/c1-14-12-13-17-18(20-14)21-19(15-8-4-2-5-9-15)22(17)16-10-6-3-7-11-16;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-8,10-13H,1H3;1-6,8-9H;/q2*-1;.
What are the key properties of iridium;5-methyl-1-phenyl-2-phenylimidazo[4,5-b]pyridine;2-phenylpyridine?
iridium;5-methyl-1-phenyl-2-phenylimidazo[4,5-b]pyridine;2-phenylpyridine has a molecular weight of 630.75 g/mol, XLogP of 6.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;5-methyl-1-phenyl-2-phenylimidazo[4,5-b]pyridine;2-phenylpyridine is sourced from PubChem (CID 164827189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).