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

C26H16IrN3- — CID 140604477

IUPACiridium;6-(2-phenylphenyl)-1H-benzimidazolo[1,2-c]quinazolin-1-ide
SMILES[Ir].[c-]1cccc2nc(-c3ccccc3-c3ccccc3)n3c4ccccc4nc3c12
InChIInChI=1S/C26H16N3.Ir/c1-2-10-18(11-3-1)19-12-4-5-13-20(19)25-27-22-15-7-6-14-21(22)26-28-23-16-8-9-17-24(23)29(25)26;/h1-13,15-17H;/q-1;
InChIKeyXXGUXHBLDHTPEB-UHFFFAOYSA-N
MW562.65 g/mol
LogP6.17
Rot. Bonds2

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

iridium;6-(2-phenylphenyl)-1H-benzimidazolo[1,2-c]quinazolin-1-ide (PubChem CID 140604477) has the molecular formula C26H16IrN3- and a molecular weight of 562.65 g/mol. Its IUPAC name is iridium;6-(2-phenylphenyl)-1H-benzimidazolo[1,2-c]quinazolin-1-ide.

Molecular Properties

Compound Nameiridium;6-(2-phenylphenyl)-1H-benzimidazolo[1,2-c]quinazolin-1-ide
PubChem CID140604477
Molecular FormulaC26H16IrN3-
Molecular Weight562.65 g/mol
Exact Mass563.10
IUPAC Nameiridium;6-(2-phenylphenyl)-1H-benzimidazolo[1,2-c]quinazolin-1-ide
SMILES[Ir].[c-]1cccc2nc(-c3ccccc3-c3ccccc3)n3c4ccccc4nc3c12
InChIInChI=1S/C26H16N3.Ir/c1-2-10-18(11-3-1)19-12-4-5-13-20(19)25-27-22-15-7-6-14-21(22)26-28-23-16-8-9-17-24(23)29(25)26;/h1-13,15-17H;/q-1;
InChIKeyXXGUXHBLDHTPEB-UHFFFAOYSA-N
XLogP6.17
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.65
LogP ≤ 56.17
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-methylphenyl)-1H-benzimidazolo[1,2-c]quinazolin-1-ide
CID 140604444
6-tert-butyl-1H-benzimidazolo[1,2-c]quinazolin-1-ide;iridium
CID 140604455
1-phenyl-2-(2-phenylphenyl)benzimidazole
CID 139044287
6-(3,5-diphenylphenyl)benzimidazolo[1,2-c]quinazoline
CID 70652103
6-[3-[3,5-bis[3-(benzimidazolo[1,2-c]quinazolin-6-yl)phenyl]phenyl]phenyl]benzimidazolo[1,2-c]quinazoline
CID 58894944
6-tert-butyl-4-methyl-1H-benzimidazolo[1,2-c]quinazolin-1-ide;iridium
CID 140604497
6-(2-phenoxyphenyl)benzimidazolo[1,2-c]quinazoline
CID 70651031
6-(4-methoxyphenyl)benzimidazolo[1,2-c]quinazoline
CID 12826322
6-[2-(trifluoromethoxy)phenyl]benzimidazolo[1,2-c]quinazoline
CID 70651726
6-(4,6-diphenyl-2-pyridinyl)benzimidazolo[1,2-c]quinazoline
CID 70807699
6-(2,6-dimethylphenyl)-1H-benzimidazolo[1,2-c]quinazolin-1-ide;6-(4-ethenylphenyl)-4-hydroxyhex-3-en-2-one;iridium
CID 149303676
6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]benzimidazolo[1,2-c]quinazoline
CID 70807705

Frequently Asked Questions

What is the IUPAC name of iridium;6-(2-phenylphenyl)-1H-benzimidazolo[1,2-c]quinazolin-1-ide?
The IUPAC name of iridium;6-(2-phenylphenyl)-1H-benzimidazolo[1,2-c]quinazolin-1-ide (CID 140604477) is iridium;6-(2-phenylphenyl)-1H-benzimidazolo[1,2-c]quinazolin-1-ide.
What is the SMILES notation for iridium;6-(2-phenylphenyl)-1H-benzimidazolo[1,2-c]quinazolin-1-ide?
The canonical SMILES for iridium;6-(2-phenylphenyl)-1H-benzimidazolo[1,2-c]quinazolin-1-ide is [Ir].[c-]1cccc2nc(-c3ccccc3-c3ccccc3)n3c4ccccc4nc3c12.
What is the InChIKey of iridium;6-(2-phenylphenyl)-1H-benzimidazolo[1,2-c]quinazolin-1-ide?
The InChIKey is XXGUXHBLDHTPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16N3.Ir/c1-2-10-18(11-3-1)19-12-4-5-13-20(19)25-27-22-15-7-6-14-21(22)26-28-23-16-8-9-17-24(23)29(25)26;/h1-13,15-17H;/q-1;.
What are the key properties of iridium;6-(2-phenylphenyl)-1H-benzimidazolo[1,2-c]quinazolin-1-ide?
iridium;6-(2-phenylphenyl)-1H-benzimidazolo[1,2-c]quinazolin-1-ide has a molecular weight of 562.65 g/mol, XLogP of 6.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;6-(2-phenylphenyl)-1H-benzimidazolo[1,2-c]quinazolin-1-ide is sourced from PubChem (CID 140604477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).