iridium;3-methyl-2-phenylquinoline

C16H13IrN — CID 174474394

IUPACiridium;3-methyl-2-phenylquinoline
SMILESCc1cc2ccccc2nc1-c1ccccc1.[Ir]
InChIInChI=1S/C16H13N.Ir/c1-12-11-14-9-5-6-10-15(14)17-16(12)13-7-3-2-4-8-13;/h2-11H,1H3;
InChIKeyIQCXTJUBSXLBKB-UHFFFAOYSA-N
MW411.50 g/mol
LogP4.21
Rot. Bonds1

About iridium;3-methyl-2-phenylquinoline

iridium;3-methyl-2-phenylquinoline (PubChem CID 174474394) has the molecular formula C16H13IrN and a molecular weight of 411.50 g/mol. Its IUPAC name is iridium;3-methyl-2-phenylquinoline.

Molecular Properties

Compound Nameiridium;3-methyl-2-phenylquinoline
PubChem CID174474394
Molecular FormulaC16H13IrN
Molecular Weight411.50 g/mol
Exact Mass412.07
IUPAC Nameiridium;3-methyl-2-phenylquinoline
SMILESCc1cc2ccccc2nc1-c1ccccc1.[Ir]
InChIInChI=1S/C16H13N.Ir/c1-12-11-14-9-5-6-10-15(14)17-16(12)13-7-3-2-4-8-13;/h2-11H,1H3;
InChIKeyIQCXTJUBSXLBKB-UHFFFAOYSA-N
XLogP4.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze iridium;3-methyl-2-phenylquinoline 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

3-methyl-2-[3-(3-methylquinolin-2-yl)phenyl]quinoline
CID 134841848
2-(3,5-dimethylphenyl)-3-methylquinoline
CID 59273843
[4-(3-methylquinolin-2-yl)phenyl]methyl-triphenylphosphanium
CID 159901113
2-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline
CID 58299261
2-phenyl-3-(2-phenylquinolin-3-yl)oxyquinoline
CID 175690294
2-[3,5-bis(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline
CID 18504282
8-tert-butyl-3-methyl-2-phenylquinoline
CID 11011231
3-methyl-2-[2-(trifluoromethyl)phenyl]quinoline
CID 132515262
2-(difluoromethyl)-3-methylquinoline
CID 154021471
1,1'-biphenyl;1,2-dimethylacridine
CID 175084711
cadmium(2+);bis(3-methylquinoline-2-thiolate)
CID 162181468
2-phenylquinoline-3-carboxamide
CID 22159420

Frequently Asked Questions

What is the IUPAC name of iridium;3-methyl-2-phenylquinoline?
The IUPAC name of iridium;3-methyl-2-phenylquinoline (CID 174474394) is iridium;3-methyl-2-phenylquinoline.
What is the SMILES notation for iridium;3-methyl-2-phenylquinoline?
The canonical SMILES for iridium;3-methyl-2-phenylquinoline is Cc1cc2ccccc2nc1-c1ccccc1.[Ir].
What is the InChIKey of iridium;3-methyl-2-phenylquinoline?
The InChIKey is IQCXTJUBSXLBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N.Ir/c1-12-11-14-9-5-6-10-15(14)17-16(12)13-7-3-2-4-8-13;/h2-11H,1H3;.
What are the key properties of iridium;3-methyl-2-phenylquinoline?
iridium;3-methyl-2-phenylquinoline has a molecular weight of 411.50 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;3-methyl-2-phenylquinoline is sourced from PubChem (CID 174474394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).