iridium;4-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-methyl-2-phenylpyridine

C32H24IrN2-2 — CID 162470285

IUPACiridium;4-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-methyl-2-phenylpyridine
SMILESCc1cc[c-]c(-c2nccc3c2ccc2ccccc23)c1.Cc1ccnc(-c2[c-]cccc2)c1.[Ir]
InChIInChI=1S/C20H14N.C12H10N.Ir/c1-14-5-4-7-16(13-14)20-19-10-9-15-6-2-3-8-17(15)18(19)11-12-21-20;1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;/h2-6,8-13H,1H3;2-5,7-9H,1H3;/q2*-1;
InChIKeyABXLZYQGANOOEV-UHFFFAOYSA-N
MW628.78 g/mol
LogP8.02
Rot. Bonds2

About iridium;4-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-methyl-2-phenylpyridine

iridium;4-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-methyl-2-phenylpyridine (PubChem CID 162470285) has the molecular formula C32H24IrN2-2 and a molecular weight of 628.78 g/mol. Its IUPAC name is iridium;4-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-methyl-2-phenylpyridine.

Molecular Properties

Compound Nameiridium;4-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-methyl-2-phenylpyridine
PubChem CID162470285
Molecular FormulaC32H24IrN2-2
Molecular Weight628.78 g/mol
Exact Mass629.16
IUPAC Nameiridium;4-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-methyl-2-phenylpyridine
SMILESCc1cc[c-]c(-c2nccc3c2ccc2ccccc23)c1.Cc1ccnc(-c2[c-]cccc2)c1.[Ir]
InChIInChI=1S/C20H14N.C12H10N.Ir/c1-14-5-4-7-16(13-14)20-19-10-9-15-6-2-3-8-17(15)18(19)11-12-21-20;1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;/h2-6,8-13H,1H3;2-5,7-9H,1H3;/q2*-1;
InChIKeyABXLZYQGANOOEV-UHFFFAOYSA-N
XLogP8.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.78
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze iridium;4-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;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

1-(3,5-dimethylbenzene-6-id-1-yl)naphtho[2,1-f]isoquinoline;iridium(3+);2-(3-phenylbenzene-6-id-1-yl)pyridine;2-phenylpyridine
CID 168745218
carbanylium;tris(iridium);1-(3-methylbenzene-6-id-1-yl)naphtho[2,1-f]isoquinoline;8-methyl-1-phenylnaphtho[2,1-f]isoquinoline;9-methyl-1-phenylnaphtho[2,1-f]isoquinoline;1-(3-methylphenyl)naphtho[2,1-f]isoquinolin-2-ium;bis(1-phenylnaphtho[2,1-f]isoquinolin-2-ium);tris(2-phenylpyridine)
CID 159050367
1-(9,10-diphenyl-3H-anthracen-3-id-2-yl)naphtho[2,1-f]isoquinoline;iridium;2-phenylpyridine
CID 176775848
iridium;4-methyl-2-(3-phenanthren-9-ylbenzene-6-id-1-yl)pyridine;2-phenyl-5-(trideuteriomethyl)pyridine
CID 172506536
ethane;6-methylchrysene;1-methyl-3-phenylbenzene-4-ide;yttrium
CID 158954289
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;1-(3,5-dimethylbenzene-6-id-1-yl)naphtho[2,1-f]isoquinoline;iridium(3+);2-phenylpyridine
CID 168745315
iridium;8-methyl-4-phenyl-3,7-phenanthroline
CID 168852706
(Z)-4-hydroxypent-3-en-2-one;iridium;4-phenylbenzo[f]isoquinoline
CID 59470234
iridium;3-(3-methylbenzene-6-id-1-yl)isoquinoline;2-phenylpyridine
CID 155620539
1-(7-tert-butyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)naphtho[2,1-f]isoquinoline;iridium;2-phenylpyridine
CID 176775812
1-(7-fluoro-9,9-dimethyl-3H-fluoren-3-id-2-yl)naphtho[2,1-f]isoquinoline;iridium;2-phenylpyridine
CID 176775744

Frequently Asked Questions

What is the IUPAC name of iridium;4-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-methyl-2-phenylpyridine?
The IUPAC name of iridium;4-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-methyl-2-phenylpyridine (CID 162470285) is iridium;4-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-methyl-2-phenylpyridine.
What is the SMILES notation for iridium;4-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-methyl-2-phenylpyridine?
The canonical SMILES for iridium;4-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-methyl-2-phenylpyridine is Cc1cc[c-]c(-c2nccc3c2ccc2ccccc23)c1.Cc1ccnc(-c2[c-]cccc2)c1.[Ir].
What is the InChIKey of iridium;4-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-methyl-2-phenylpyridine?
The InChIKey is ABXLZYQGANOOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N.C12H10N.Ir/c1-14-5-4-7-16(13-14)20-19-10-9-15-6-2-3-8-17(15)18(19)11-12-21-20;1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;/h2-6,8-13H,1H3;2-5,7-9H,1H3;/q2*-1;.
What are the key properties of iridium;4-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-methyl-2-phenylpyridine?
iridium;4-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-methyl-2-phenylpyridine has a molecular weight of 628.78 g/mol, XLogP of 8.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;4-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-methyl-2-phenylpyridine is sourced from PubChem (CID 162470285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).