iridium;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine

C17H13IrN4- — CID 172522404

IUPACiridium;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine
SMILES[Ir].[c-]1ccccc1N1CN(c2ccccc2)c2nccnc21
InChIInChI=1S/C17H13N4.Ir/c1-3-7-14(8-4-1)20-13-21(15-9-5-2-6-10-15)17-16(20)18-11-12-19-17;/h1-9,11-12H,13H2;/q-1;
InChIKeyHBKVGHUWWZYKMR-UHFFFAOYSA-N
MW465.54 g/mol
LogP3.52
Rot. Bonds2

About iridium;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine

iridium;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine (PubChem CID 172522404) has the molecular formula C17H13IrN4- and a molecular weight of 465.54 g/mol. Its IUPAC name is iridium;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine.

Molecular Properties

Compound Nameiridium;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine
PubChem CID172522404
Molecular FormulaC17H13IrN4-
Molecular Weight465.54 g/mol
Exact Mass466.08
IUPAC Nameiridium;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine
SMILES[Ir].[c-]1ccccc1N1CN(c2ccccc2)c2nccnc21
InChIInChI=1S/C17H13N4.Ir/c1-3-7-14(8-4-1)20-13-21(15-9-5-2-6-10-15)17-16(20)18-11-12-19-17;/h1-9,11-12H,13H2;/q-1;
InChIKeyHBKVGHUWWZYKMR-UHFFFAOYSA-N
XLogP3.52
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.54
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze iridium;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine 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-(4-tert-butylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazine
CID 140758604
iridium;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;1-phenyl-3-phenyl-2H-benzimidazol-2-ide
CID 58556265
1,3-bis(4-methylphenyl)-2H-imidazo[4,5-b]pyrazine
CID 140758501
7-phenyl-9-pyridin-4-yl-8H-purine
CID 58556344
1,3-bis(3-methylphenyl)-2H-imidazo[4,5-b]pyrazine
CID 140706711
iridium;1-phenyl-3-phenyl-2H-imidazo[4,5-b]quinoxalin-2-ide
CID 140806316
7-phenyl-9-pyridin-3-yl-8H-purine
CID 58556336
1-methyl-3-[4-[2-[2,3,5,6-tetramethyl-4-[2-[4-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-2H-imidazo[4,5-b]pyrazine
CID 153295102
5-methyl-1-(2-methylphenyl)-3-phenyl-2H-imidazo[4,5-b]pyrazine
CID 157460278
7-(2-methylphenyl)-9-phenyl-8H-purine
CID 58556269
3-(4-tert-butylbenzene-6-id-1-yl)-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide;tetrakis(iridium);1-(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyridin-2-ide
CID 159417650
3-phenyl-2H-[1,3]oxazolo[4,5-b]pyridine
CID 140592211

Frequently Asked Questions

What is the IUPAC name of iridium;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine?
The IUPAC name of iridium;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine (CID 172522404) is iridium;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine.
What is the SMILES notation for iridium;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine?
The canonical SMILES for iridium;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine is [Ir].[c-]1ccccc1N1CN(c2ccccc2)c2nccnc21.
What is the InChIKey of iridium;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine?
The InChIKey is HBKVGHUWWZYKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N4.Ir/c1-3-7-14(8-4-1)20-13-21(15-9-5-2-6-10-15)17-16(20)18-11-12-19-17;/h1-9,11-12H,13H2;/q-1;.
What are the key properties of iridium;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine?
iridium;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine has a molecular weight of 465.54 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine is sourced from PubChem (CID 172522404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).