iridium;5-(4-methylphenyl)-8-(2-phenyl-3-pyridin-2-ylbenzene-4-id-1-yl)quinoline;4-methyl-2-phenylpyridine

C45H33IrN3-2 — CID 171751551

IUPACiridium;5-(4-methylphenyl)-8-(2-phenyl-3-pyridin-2-ylbenzene-4-id-1-yl)quinoline;4-methyl-2-phenylpyridine
SMILESCc1ccc(-c2ccc(-c3cc[c-]c(-c4ccccn4)c3-c3ccccc3)c3ncccc23)cc1.Cc1ccnc(-c2[c-]cccc2)c1.[Ir]
InChIInChI=1S/C33H23N2.C12H10N.Ir/c1-23-15-17-24(18-16-23)26-19-20-29(33-28(26)13-8-22-35-33)27-11-7-12-30(31-14-5-6-21-34-31)32(27)25-9-3-2-4-10-25;1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;/h2-11,13-22H,1H3;2-5,7-9H,1H3;/q2*-1;
InChIKeyKFYWUPUBQXIFAL-UHFFFAOYSA-N
MW808.00 g/mol
LogP11.26
Rot. Bonds5

About iridium;5-(4-methylphenyl)-8-(2-phenyl-3-pyridin-2-ylbenzene-4-id-1-yl)quinoline;4-methyl-2-phenylpyridine

iridium;5-(4-methylphenyl)-8-(2-phenyl-3-pyridin-2-ylbenzene-4-id-1-yl)quinoline;4-methyl-2-phenylpyridine (PubChem CID 171751551) has the molecular formula C45H33IrN3-2 and a molecular weight of 808.00 g/mol. Its IUPAC name is iridium;5-(4-methylphenyl)-8-(2-phenyl-3-pyridin-2-ylbenzene-4-id-1-yl)quinoline;4-methyl-2-phenylpyridine.

Molecular Properties

Compound Nameiridium;5-(4-methylphenyl)-8-(2-phenyl-3-pyridin-2-ylbenzene-4-id-1-yl)quinoline;4-methyl-2-phenylpyridine
PubChem CID171751551
Molecular FormulaC45H33IrN3-2
Molecular Weight808.00 g/mol
Exact Mass808.23
IUPAC Nameiridium;5-(4-methylphenyl)-8-(2-phenyl-3-pyridin-2-ylbenzene-4-id-1-yl)quinoline;4-methyl-2-phenylpyridine
SMILESCc1ccc(-c2ccc(-c3cc[c-]c(-c4ccccn4)c3-c3ccccc3)c3ncccc23)cc1.Cc1ccnc(-c2[c-]cccc2)c1.[Ir]
InChIInChI=1S/C33H23N2.C12H10N.Ir/c1-23-15-17-24(18-16-23)26-19-20-29(33-28(26)13-8-22-35-33)27-11-7-12-30(31-14-5-6-21-34-31)32(27)25-9-3-2-4-10-25;1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;/h2-11,13-22H,1H3;2-5,7-9H,1H3;/q2*-1;
InChIKeyKFYWUPUBQXIFAL-UHFFFAOYSA-N
XLogP11.26
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.00
LogP ≤ 511.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze iridium;5-(4-methylphenyl)-8-(2-phenyl-3-pyridin-2-ylbenzene-4-id-1-yl)quinoline;4-methyl-2-phenylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

iridium;5-(4-methylphenyl)-8-(2-phenyl-5-pyridin-2-ylbenzene-4-id-1-yl)quinoline;4-methyl-2-phenylpyridine
CID 171751522
5-(4-methylphenyl)-8-(2-phenyl-5-pyridin-2-ylphenyl)quinoline
CID 171751523
2-(7-fluoro-6-phenyl-3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;iridium;4-methyl-2-phenylpyridine
CID 164798094
iridium;4-methyl-2-phenylpyridine;8-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-(2,4,6-trimethylphenyl)isoquinoline
CID 171751607
5-[3-(4-tert-butyl-2-pyridinyl)benzene-4-id-1-yl]-8-(2-methyl-3-phenylphenyl)-3-phenylquinoline;iridium;4-methyl-2-phenylpyridine
CID 171751497
pentakis(iridium);pentakis(2-(3-methylbenzene-6-id-1-yl)pyridine);5-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;bis(4-methyl-2-phenylpyridine);bis(5-methyl-2-phenylpyridine)
CID 159709383
2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium;4-methyl-5-phenyl-2-phenylpyridine
CID 59500289
4-tert-butyl-6-(2-methyl-4H-pyridin-4-id-3-yl)pyrimidine;4,7-diphenyl-1,10-phenanthroline;bis(iridium);2-phenylpyridine
CID 158052506
iridium;4-methyl-2-phenylpyridine;6-(4-methyl-2-pyridinyl)-4-phenyl-7H-dibenzofuran-7-ide-3-carbonitrile
CID 162505740
2-(2H-dibenzofuran-2-id-3-yl)-5-methylpyridine;2-(3H-dibenzofuran-3-id-2-yl)-4-methylpyridine;2-(3H-dibenzofuran-3-id-2-yl)-5-methylpyridine;2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;tetrakis(iridium);tetrakis(4-methyl-5-phenyl-2-phenylpyridine)
CID 162181234
iridium;2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-phenyl-4-propan-2-ylpyridine
CID 164797671
5-[3-(4-tert-butyl-2-pyridinyl)benzene-4-id-1-yl]-8-[3-(4-methylphenyl)-5-phenylphenyl]isoquinoline;iridium;4-methyl-2-phenylpyridine
CID 171751767

Frequently Asked Questions

What is the IUPAC name of iridium;5-(4-methylphenyl)-8-(2-phenyl-3-pyridin-2-ylbenzene-4-id-1-yl)quinoline;4-methyl-2-phenylpyridine?
The IUPAC name of iridium;5-(4-methylphenyl)-8-(2-phenyl-3-pyridin-2-ylbenzene-4-id-1-yl)quinoline;4-methyl-2-phenylpyridine (CID 171751551) is iridium;5-(4-methylphenyl)-8-(2-phenyl-3-pyridin-2-ylbenzene-4-id-1-yl)quinoline;4-methyl-2-phenylpyridine.
What is the SMILES notation for iridium;5-(4-methylphenyl)-8-(2-phenyl-3-pyridin-2-ylbenzene-4-id-1-yl)quinoline;4-methyl-2-phenylpyridine?
The canonical SMILES for iridium;5-(4-methylphenyl)-8-(2-phenyl-3-pyridin-2-ylbenzene-4-id-1-yl)quinoline;4-methyl-2-phenylpyridine is Cc1ccc(-c2ccc(-c3cc[c-]c(-c4ccccn4)c3-c3ccccc3)c3ncccc23)cc1.Cc1ccnc(-c2[c-]cccc2)c1.[Ir].
What is the InChIKey of iridium;5-(4-methylphenyl)-8-(2-phenyl-3-pyridin-2-ylbenzene-4-id-1-yl)quinoline;4-methyl-2-phenylpyridine?
The InChIKey is KFYWUPUBQXIFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23N2.C12H10N.Ir/c1-23-15-17-24(18-16-23)26-19-20-29(33-28(26)13-8-22-35-33)27-11-7-12-30(31-14-5-6-21-34-31)32(27)25-9-3-2-4-10-25;1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;/h2-11,13-22H,1H3;2-5,7-9H,1H3;/q2*-1;.
What are the key properties of iridium;5-(4-methylphenyl)-8-(2-phenyl-3-pyridin-2-ylbenzene-4-id-1-yl)quinoline;4-methyl-2-phenylpyridine?
iridium;5-(4-methylphenyl)-8-(2-phenyl-3-pyridin-2-ylbenzene-4-id-1-yl)quinoline;4-methyl-2-phenylpyridine has a molecular weight of 808.00 g/mol, XLogP of 11.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;5-(4-methylphenyl)-8-(2-phenyl-3-pyridin-2-ylbenzene-4-id-1-yl)quinoline;4-methyl-2-phenylpyridine is sourced from PubChem (CID 171751551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).