iridium;4-methyl-1-phenyl-2-phenylimidazo[4,5-c]quinoline;2-phenylpyridine

C34H24IrN4-2 — CID 164827342

IUPACiridium;4-methyl-1-phenyl-2-phenylimidazo[4,5-c]quinoline;2-phenylpyridine
SMILESCc1nc2ccccc2c2c1nc(-c1[c-]cccc1)n2-c1ccccc1.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C23H16N3.C11H8N.Ir/c1-16-21-22(19-14-8-9-15-20(19)24-16)26(18-12-6-3-7-13-18)23(25-21)17-10-4-2-5-11-17;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-10,12-15H,1H3;1-6,8-9H;/q2*-1;
InChIKeyUNASOJPSHDOZOM-UHFFFAOYSA-N
MW680.81 g/mol
LogP7.90
Rot. Bonds3

About iridium;4-methyl-1-phenyl-2-phenylimidazo[4,5-c]quinoline;2-phenylpyridine

iridium;4-methyl-1-phenyl-2-phenylimidazo[4,5-c]quinoline;2-phenylpyridine (PubChem CID 164827342) has the molecular formula C34H24IrN4-2 and a molecular weight of 680.81 g/mol. Its IUPAC name is iridium;4-methyl-1-phenyl-2-phenylimidazo[4,5-c]quinoline;2-phenylpyridine.

Molecular Properties

Compound Nameiridium;4-methyl-1-phenyl-2-phenylimidazo[4,5-c]quinoline;2-phenylpyridine
PubChem CID164827342
Molecular FormulaC34H24IrN4-2
Molecular Weight680.81 g/mol
Exact Mass681.16
IUPAC Nameiridium;4-methyl-1-phenyl-2-phenylimidazo[4,5-c]quinoline;2-phenylpyridine
SMILESCc1nc2ccccc2c2c1nc(-c1[c-]cccc1)n2-c1ccccc1.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C23H16N3.C11H8N.Ir/c1-16-21-22(19-14-8-9-15-20(19)24-16)26(18-12-6-3-7-13-18)23(25-21)17-10-4-2-5-11-17;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-10,12-15H,1H3;1-6,8-9H;/q2*-1;
InChIKeyUNASOJPSHDOZOM-UHFFFAOYSA-N
XLogP7.90
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.81
LogP ≤ 57.90
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-[7-(2-deuteriopropan-2-yl)-3H-dibenzofuran-3-id-4-yl]-4-methyl-1-phenylimidazo[4,5-c]quinoline;iridium;2-phenylpyridine
CID 164827106
3,5-diphenyl-2-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine
CID 164826378
iridium;4-[3-(4-methylphenyl)imidazo[4,5-f][1,10]phenanthrolin-2-yl]phenol;bis(2-phenylpyridine)
CID 169049656
iridium;5-methyl-1-phenyl-2-phenylimidazo[4,5-b]pyridine;2-phenylpyridine
CID 164827189
2-(1-fluoro-3H-dibenzofuran-3-id-4-yl)-4,6,7-trimethyl-1-phenylimidazo[4,5-c]pyridine;iridium;2-phenylpyridine
CID 164824787
iridium;tris(2-phenylpyridine)
CID 23386734
1,6-diphenyl-2-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine
CID 164824958
iridium;2-methyl-8-(4-methyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenylpyridine
CID 164824741
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;iridium;2-phenylpyridine
CID 161358611
iridium;7-phenyl-2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole;2-phenylpyridine
CID 153426884
iridium;2-phenylpyridine;trimethyl-(5-phenyl-3-phenylpyrido[4,3-b]indol-6-yl)germane
CID 166018565
iridium;1-methyl-4-phenyl-2-phenylimidazole;2-phenylpyridine
CID 170539604

Frequently Asked Questions

What is the IUPAC name of iridium;4-methyl-1-phenyl-2-phenylimidazo[4,5-c]quinoline;2-phenylpyridine?
The IUPAC name of iridium;4-methyl-1-phenyl-2-phenylimidazo[4,5-c]quinoline;2-phenylpyridine (CID 164827342) is iridium;4-methyl-1-phenyl-2-phenylimidazo[4,5-c]quinoline;2-phenylpyridine.
What is the SMILES notation for iridium;4-methyl-1-phenyl-2-phenylimidazo[4,5-c]quinoline;2-phenylpyridine?
The canonical SMILES for iridium;4-methyl-1-phenyl-2-phenylimidazo[4,5-c]quinoline;2-phenylpyridine is Cc1nc2ccccc2c2c1nc(-c1[c-]cccc1)n2-c1ccccc1.[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of iridium;4-methyl-1-phenyl-2-phenylimidazo[4,5-c]quinoline;2-phenylpyridine?
The InChIKey is UNASOJPSHDOZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N3.C11H8N.Ir/c1-16-21-22(19-14-8-9-15-20(19)24-16)26(18-12-6-3-7-13-18)23(25-21)17-10-4-2-5-11-17;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-10,12-15H,1H3;1-6,8-9H;/q2*-1;.
What are the key properties of iridium;4-methyl-1-phenyl-2-phenylimidazo[4,5-c]quinoline;2-phenylpyridine?
iridium;4-methyl-1-phenyl-2-phenylimidazo[4,5-c]quinoline;2-phenylpyridine has a molecular weight of 680.81 g/mol, XLogP of 7.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;4-methyl-1-phenyl-2-phenylimidazo[4,5-c]quinoline;2-phenylpyridine is sourced from PubChem (CID 164827342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).