iridium;6-(2-methylphenyl)-1H-benzimidazolo[1,2-c]quinazolin-1-ide

C21H14IrN3- — CID 140604444

IUPACiridium;6-(2-methylphenyl)-1H-benzimidazolo[1,2-c]quinazolin-1-ide
SMILESCc1ccccc1-c1nc2ccc[c-]c2c2nc3ccccc3n12.[Ir]
InChIInChI=1S/C21H14N3.Ir/c1-14-8-2-3-9-15(14)20-22-17-11-5-4-10-16(17)21-23-18-12-6-7-13-19(18)24(20)21;/h2-9,11-13H,1H3;/q-1;
InChIKeyZYRMOTUWIUPJHU-UHFFFAOYSA-N
MW500.58 g/mol
LogP4.81
Rot. Bonds1

About iridium;6-(2-methylphenyl)-1H-benzimidazolo[1,2-c]quinazolin-1-ide

iridium;6-(2-methylphenyl)-1H-benzimidazolo[1,2-c]quinazolin-1-ide (PubChem CID 140604444) has the molecular formula C21H14IrN3- and a molecular weight of 500.58 g/mol. Its IUPAC name is iridium;6-(2-methylphenyl)-1H-benzimidazolo[1,2-c]quinazolin-1-ide.

Molecular Properties

Compound Nameiridium;6-(2-methylphenyl)-1H-benzimidazolo[1,2-c]quinazolin-1-ide
PubChem CID140604444
Molecular FormulaC21H14IrN3-
Molecular Weight500.58 g/mol
Exact Mass501.08
IUPAC Nameiridium;6-(2-methylphenyl)-1H-benzimidazolo[1,2-c]quinazolin-1-ide
SMILESCc1ccccc1-c1nc2ccc[c-]c2c2nc3ccccc3n12.[Ir]
InChIInChI=1S/C21H14N3.Ir/c1-14-8-2-3-9-15(14)20-22-17-11-5-4-10-16(17)21-23-18-12-6-7-13-19(18)24(20)21;/h2-9,11-13H,1H3;/q-1;
InChIKeyZYRMOTUWIUPJHU-UHFFFAOYSA-N
XLogP4.81
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.58
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

iridium;6-(2-phenylphenyl)-1H-benzimidazolo[1,2-c]quinazolin-1-ide
CID 140604477
6-tert-butyl-1H-benzimidazolo[1,2-c]quinazolin-1-ide;iridium
CID 140604455
6-tert-butyl-4-methyl-1H-benzimidazolo[1,2-c]quinazolin-1-ide;iridium
CID 140604497
6-(2,6-dimethylphenyl)-1H-benzimidazolo[1,2-c]quinazolin-1-ide;6-(4-ethenylphenyl)-4-hydroxyhex-3-en-2-one;iridium
CID 149303676
11-(2-methylphenyl)-14-oxa-3,10,12-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-21-one
CID 4899991
3-fluoro-6-(2,4,6-trimethylphenyl)-1H-benzimidazolo[1,2-c]quinazolin-1-ide;iridium;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole
CID 140604474
1-chloro-5-methyl-3-(2-methylphenyl)imidazo[1,5-a]pyridine
CID 117250780
1-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)benzimidazole
CID 17000627
6-(2-phenoxyphenyl)benzimidazolo[1,2-c]quinazoline
CID 70651031
18-(2,6-dimethylphenyl)-2,9,17,19-tetrazahexacyclo[15.6.1.02,10.03,8.011,16.020,24]tetracosa-1(23),3,5,7,9,11,13,15,18,20(24),21-undecaene
CID 164734168
2-(2-methylphenyl)-1-(2-methylprop-2-enyl)benzimidazole
CID 17000597
6-(4-methoxyphenyl)benzimidazolo[1,2-c]quinazoline
CID 12826322

Frequently Asked Questions

What is the IUPAC name of iridium;6-(2-methylphenyl)-1H-benzimidazolo[1,2-c]quinazolin-1-ide?
The IUPAC name of iridium;6-(2-methylphenyl)-1H-benzimidazolo[1,2-c]quinazolin-1-ide (CID 140604444) is iridium;6-(2-methylphenyl)-1H-benzimidazolo[1,2-c]quinazolin-1-ide.
What is the SMILES notation for iridium;6-(2-methylphenyl)-1H-benzimidazolo[1,2-c]quinazolin-1-ide?
The canonical SMILES for iridium;6-(2-methylphenyl)-1H-benzimidazolo[1,2-c]quinazolin-1-ide is Cc1ccccc1-c1nc2ccc[c-]c2c2nc3ccccc3n12.[Ir].
What is the InChIKey of iridium;6-(2-methylphenyl)-1H-benzimidazolo[1,2-c]quinazolin-1-ide?
The InChIKey is ZYRMOTUWIUPJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N3.Ir/c1-14-8-2-3-9-15(14)20-22-17-11-5-4-10-16(17)21-23-18-12-6-7-13-19(18)24(20)21;/h2-9,11-13H,1H3;/q-1;.
What are the key properties of iridium;6-(2-methylphenyl)-1H-benzimidazolo[1,2-c]quinazolin-1-ide?
iridium;6-(2-methylphenyl)-1H-benzimidazolo[1,2-c]quinazolin-1-ide has a molecular weight of 500.58 g/mol, XLogP of 4.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;6-(2-methylphenyl)-1H-benzimidazolo[1,2-c]quinazolin-1-ide is sourced from PubChem (CID 140604444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).