5-(2,6-dimethylphenyl)-10H-benzo[h]quinolin-10-ide;iridium

C21H16IrN- — CID 140719040

IUPAC5-(2,6-dimethylphenyl)-10H-benzo[h]quinolin-10-ide;iridium
SMILESCc1cccc(C)c1-c1cc2ccc[c-]c2c2ncccc12.[Ir]
InChIInChI=1S/C21H16N.Ir/c1-14-7-5-8-15(2)20(14)19-13-16-9-3-4-10-17(16)21-18(19)11-6-12-22-21;/h3-9,11-13H,1-2H3;/q-1;
InChIKeyVSKMAQIAJJWNPK-UHFFFAOYSA-N
MW474.58 g/mol
LogP5.47
Rot. Bonds1

About 5-(2,6-dimethylphenyl)-10H-benzo[h]quinolin-10-ide;iridium

5-(2,6-dimethylphenyl)-10H-benzo[h]quinolin-10-ide;iridium (PubChem CID 140719040) has the molecular formula C21H16IrN- and a molecular weight of 474.58 g/mol. Its IUPAC name is 5-(2,6-dimethylphenyl)-10H-benzo[h]quinolin-10-ide;iridium.

Molecular Properties

Compound Name5-(2,6-dimethylphenyl)-10H-benzo[h]quinolin-10-ide;iridium
PubChem CID140719040
Molecular FormulaC21H16IrN-
Molecular Weight474.58 g/mol
Exact Mass475.09
IUPAC Name5-(2,6-dimethylphenyl)-10H-benzo[h]quinolin-10-ide;iridium
SMILESCc1cccc(C)c1-c1cc2ccc[c-]c2c2ncccc12.[Ir]
InChIInChI=1S/C21H16N.Ir/c1-14-7-5-8-15(2)20(14)19-13-16-9-3-4-10-17(16)21-18(19)11-6-12-22-21;/h3-9,11-13H,1-2H3;/q-1;
InChIKeyVSKMAQIAJJWNPK-UHFFFAOYSA-N
XLogP5.47
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.58
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(10H-benzo[h]quinolin-10-ide);iridium;10-methylbenzo[h]quinoline
CID 59480620
iridium(3+);bis(12H-phenanthro[9,10-b]pyridin-12-ide);1,10-phenanthroline;chloride
CID 54741035
beryllium bis(10H-benzo[h]quinolin-10-ide)
CID 156697230
iron;tris(1,10-phenanthrolin-5-amine)
CID 67973166
5-[4-[3,5-bis[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 121460993
10H-benzo[h]quinolin-10-ide;iridium;4-methyl-5-phenyl-2-phenylpyridine
CID 140719052
iridium;5-methyl-1,10-phenanthroline;6-phenyl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene
CID 59621550
bis(10H-benzo[h]quinolin-10-ide);bis(palladium);diacetate;difluoride
CID 53470521
7-(2,6-dimethylphenyl)-2-methyl-4H-phenanthro[9,10-d][1,3]thiazol-4-ide;iridium
CID 59358927
bis(10H-benzo[h]quinolin-10-ide);iridium(3+);10-methanidylbenzo[h]quinoline
CID 58084663
6,12-di(phenanthren-9-yl)quinolino[8,7-h]quinoline
CID 88544757
naphtho[2,3-f][1,10]phenanthroline
CID 15381524

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylphenyl)-10H-benzo[h]quinolin-10-ide;iridium?
The IUPAC name of 5-(2,6-dimethylphenyl)-10H-benzo[h]quinolin-10-ide;iridium (CID 140719040) is 5-(2,6-dimethylphenyl)-10H-benzo[h]quinolin-10-ide;iridium.
What is the SMILES notation for 5-(2,6-dimethylphenyl)-10H-benzo[h]quinolin-10-ide;iridium?
The canonical SMILES for 5-(2,6-dimethylphenyl)-10H-benzo[h]quinolin-10-ide;iridium is Cc1cccc(C)c1-c1cc2ccc[c-]c2c2ncccc12.[Ir].
What is the InChIKey of 5-(2,6-dimethylphenyl)-10H-benzo[h]quinolin-10-ide;iridium?
The InChIKey is VSKMAQIAJJWNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N.Ir/c1-14-7-5-8-15(2)20(14)19-13-16-9-3-4-10-17(16)21-18(19)11-6-12-22-21;/h3-9,11-13H,1-2H3;/q-1;.
What are the key properties of 5-(2,6-dimethylphenyl)-10H-benzo[h]quinolin-10-ide;iridium?
5-(2,6-dimethylphenyl)-10H-benzo[h]quinolin-10-ide;iridium has a molecular weight of 474.58 g/mol, XLogP of 5.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylphenyl)-10H-benzo[h]quinolin-10-ide;iridium is sourced from PubChem (CID 140719040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).