iridium;3-methylbenzo[h]quinoline;3-methyl-6,10-dihydro-5H-benzo[h]quinolin-10-ide

C28H23IrN2- — CID 158614986

IUPACiridium;3-methylbenzo[h]quinoline;3-methyl-6,10-dihydro-5H-benzo[h]quinolin-10-ide
SMILESCc1cnc2c(c1)CCc1ccc[c-]c1-2.Cc1cnc2c(ccc3ccccc32)c1.[Ir]
InChIInChI=1S/C14H12N.C14H11N.Ir/c2*1-10-8-12-7-6-11-4-2-3-5-13(11)14(12)15-9-10;/h2-4,8-9H,6-7H2,1H3;2-9H,1H3;/q-1;;
InChIKeyILQLVQBRSCYMHG-UHFFFAOYSA-N
MW579.72 g/mol
LogP6.65
Rot. Bonds

About iridium;3-methylbenzo[h]quinoline;3-methyl-6,10-dihydro-5H-benzo[h]quinolin-10-ide

iridium;3-methylbenzo[h]quinoline;3-methyl-6,10-dihydro-5H-benzo[h]quinolin-10-ide (PubChem CID 158614986) has the molecular formula C28H23IrN2- and a molecular weight of 579.72 g/mol. Its IUPAC name is iridium;3-methylbenzo[h]quinoline;3-methyl-6,10-dihydro-5H-benzo[h]quinolin-10-ide.

Molecular Properties

Compound Nameiridium;3-methylbenzo[h]quinoline;3-methyl-6,10-dihydro-5H-benzo[h]quinolin-10-ide
PubChem CID158614986
Molecular FormulaC28H23IrN2-
Molecular Weight579.72 g/mol
Exact Mass580.15
IUPAC Nameiridium;3-methylbenzo[h]quinoline;3-methyl-6,10-dihydro-5H-benzo[h]quinolin-10-ide
SMILESCc1cnc2c(c1)CCc1ccc[c-]c1-2.Cc1cnc2c(ccc3ccccc32)c1.[Ir]
InChIInChI=1S/C14H12N.C14H11N.Ir/c2*1-10-8-12-7-6-11-4-2-3-5-13(11)14(12)15-9-10;/h2-4,8-9H,6-7H2,1H3;2-9H,1H3;/q-1;;
InChIKeyILQLVQBRSCYMHG-UHFFFAOYSA-N
XLogP6.65
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.72
LogP ≤ 56.65
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;3-methylbenzo[h]quinoline;3-methyl-6,10-dihydro-5H-benzo[h]quinolin-10-ide 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-5,6-dihydrobenzo[h]quinoline
CID 59294831
3-[2-[3-chloro-5-[2-(5,6-dihydrobenzo[h]quinolin-3-yl)phenyl]phenyl]phenyl]benzo[h]quinoline
CID 142296858
3,8-dimethyl-1,10-phenanthroline
CID 159392628
7-iodo-3-methylbenzo[h]quinoline
CID 142438987
7-methyl-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17,19,21-undecaene
CID 170258496
ethane;3-methylquinolin-8-ol
CID 143422090
6,10-dihydroisochromeno[4,3-b]pyridin-10-ide;iridium;1-phenylisoquinoline
CID 153446953
ethane;methane;phenanthrene
CID 144938954
ethane;methane;phenanthrene
CID 144939263
3-(3,5-dimethylphenyl)-12H-phenanthro[9,10-b]pyrazin-12-ide;iridium;pentane-2,4-diol
CID 58019467
2-methylbenzo[h]quinazoline
CID 15811350
3-methyl-5,6-dihydro-[1]benzoxepino[2,3-b]pyridine
CID 145135593

Frequently Asked Questions

What is the IUPAC name of iridium;3-methylbenzo[h]quinoline;3-methyl-6,10-dihydro-5H-benzo[h]quinolin-10-ide?
The IUPAC name of iridium;3-methylbenzo[h]quinoline;3-methyl-6,10-dihydro-5H-benzo[h]quinolin-10-ide (CID 158614986) is iridium;3-methylbenzo[h]quinoline;3-methyl-6,10-dihydro-5H-benzo[h]quinolin-10-ide.
What is the SMILES notation for iridium;3-methylbenzo[h]quinoline;3-methyl-6,10-dihydro-5H-benzo[h]quinolin-10-ide?
The canonical SMILES for iridium;3-methylbenzo[h]quinoline;3-methyl-6,10-dihydro-5H-benzo[h]quinolin-10-ide is Cc1cnc2c(c1)CCc1ccc[c-]c1-2.Cc1cnc2c(ccc3ccccc32)c1.[Ir].
What is the InChIKey of iridium;3-methylbenzo[h]quinoline;3-methyl-6,10-dihydro-5H-benzo[h]quinolin-10-ide?
The InChIKey is ILQLVQBRSCYMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N.C14H11N.Ir/c2*1-10-8-12-7-6-11-4-2-3-5-13(11)14(12)15-9-10;/h2-4,8-9H,6-7H2,1H3;2-9H,1H3;/q-1;;.
What are the key properties of iridium;3-methylbenzo[h]quinoline;3-methyl-6,10-dihydro-5H-benzo[h]quinolin-10-ide?
iridium;3-methylbenzo[h]quinoline;3-methyl-6,10-dihydro-5H-benzo[h]quinolin-10-ide has a molecular weight of 579.72 g/mol, XLogP of 6.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;3-methylbenzo[h]quinoline;3-methyl-6,10-dihydro-5H-benzo[h]quinolin-10-ide is sourced from PubChem (CID 158614986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).