iridium;2-(3-phenyl-2H-imidazol-2-id-1-yl)phenol;3-(6-pyridazin-3-yl-2-pyridinyl)pyridazine

C28H21IrN7O-2 — CID 171438835

IUPACiridium;2-(3-phenyl-2H-imidazol-2-id-1-yl)phenol;3-(6-pyridazin-3-yl-2-pyridinyl)pyridazine
SMILESOc1ccccc1N1C=CN(c2[c-]cccc2)[CH-]1.[Ir].c1cnnc(-c2cccc(-c3cccnn3)n2)c1
InChIInChI=1S/C15H12N2O.C13H9N5.Ir/c18-15-9-5-4-8-14(15)17-11-10-16(12-17)13-6-2-1-3-7-13;1-4-10(12-6-2-8-14-17-12)16-11(5-1)13-7-3-9-15-18-13;/h1-6,8-12,18H;1-9H;/q-2;;
InChIKeyBXJNBFIAZWHOJU-UHFFFAOYSA-N
MW663.74 g/mol
LogP5.10
Rot. Bonds4

About iridium;2-(3-phenyl-2H-imidazol-2-id-1-yl)phenol;3-(6-pyridazin-3-yl-2-pyridinyl)pyridazine

iridium;2-(3-phenyl-2H-imidazol-2-id-1-yl)phenol;3-(6-pyridazin-3-yl-2-pyridinyl)pyridazine (PubChem CID 171438835) has the molecular formula C28H21IrN7O-2 and a molecular weight of 663.74 g/mol. Its IUPAC name is iridium;2-(3-phenyl-2H-imidazol-2-id-1-yl)phenol;3-(6-pyridazin-3-yl-2-pyridinyl)pyridazine.

Molecular Properties

Compound Nameiridium;2-(3-phenyl-2H-imidazol-2-id-1-yl)phenol;3-(6-pyridazin-3-yl-2-pyridinyl)pyridazine
PubChem CID171438835
Molecular FormulaC28H21IrN7O-2
Molecular Weight663.74 g/mol
Exact Mass664.14
IUPAC Nameiridium;2-(3-phenyl-2H-imidazol-2-id-1-yl)phenol;3-(6-pyridazin-3-yl-2-pyridinyl)pyridazine
SMILESOc1ccccc1N1C=CN(c2[c-]cccc2)[CH-]1.[Ir].c1cnnc(-c2cccc(-c3cccnn3)n2)c1
InChIInChI=1S/C15H12N2O.C13H9N5.Ir/c18-15-9-5-4-8-14(15)17-11-10-16(12-17)13-6-2-1-3-7-13;1-4-10(12-6-2-8-14-17-12)16-11(5-1)13-7-3-9-15-18-13;/h1-6,8-12,18H;1-9H;/q-2;;
InChIKeyBXJNBFIAZWHOJU-UHFFFAOYSA-N
XLogP5.10
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.74
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze iridium;2-(3-phenyl-2H-imidazol-2-id-1-yl)phenol;3-(6-pyridazin-3-yl-2-pyridinyl)pyridazine 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-(6-pyridazin-3-yl-2-pyridinyl)pyridazine
CID 6417966
1,3-di(phenyl)-2H-imidazol-2-ide;iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-imidazol-2-ide
CID 168830637
ethane;ethanol;iridium;1-methyl-3-phenyl-2H-imidazol-2-ide;pyridine
CID 162283599
nickel;2-[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]phenol
CID 153499066
iridium;1-(3-phenyl-2H-imidazol-2-id-1-yl)carbazol-9-ide;2-[3-(4-phenylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]pyridine
CID 171438643
iridium(3+);2-[3-phenyl-4-(4-phenylphenyl)-2H-imidazol-2-id-1-yl]phenol;2-[3-(4-phenylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]pyridine
CID 171438734
pentakis(iridium);1-phenyl-3-phenyl-2H-benzimidazol-2-ide;bis(1-phenyl-3-phenyl-2H-benzo[f]benzimidazol-2-ide);pentakis(1-phenyl-3-phenyl-2H-imidazo[4,5-b]quinoxalin-2-ide);bis(1-phenyl-3-phenyl-2H-imidazol-2-ide)
CID 158803575
tetrakis(iridium);bis(2-[3-(4-methylbenzene-6-id-1-yl)-2H-benzimidazol-2-id-1-yl]phenol);1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-imidazol-2-ide;bis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);2-(3-phenyl-2H-benzimidazol-2-id-1-yl)phenol;2-(3-phenyl-2H-imidazol-2-id-1-yl)phenol
CID 162286572
lawrencium;1-methyl-3-phenyl-2H-benzimidazol-2-ide
CID 170209546
CID 153299176
CID 153299176
2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;1-(2,6-dimethylphenyl)-2-phenylimidazole;tetrakis(iridium);iridium(3+);bis(1-methyl-2-phenylimidazole);1-phenyl-2-phenylimidazole;1-phenyl-3-phenyl-2H-imidazol-2-ide
CID 158359208
10H-benzo[h]quinolin-10-ide;2-pyridin-2-ylphenol;quinolin-8-ol;rhenium
CID 135973441

Frequently Asked Questions

What is the IUPAC name of iridium;2-(3-phenyl-2H-imidazol-2-id-1-yl)phenol;3-(6-pyridazin-3-yl-2-pyridinyl)pyridazine?
The IUPAC name of iridium;2-(3-phenyl-2H-imidazol-2-id-1-yl)phenol;3-(6-pyridazin-3-yl-2-pyridinyl)pyridazine (CID 171438835) is iridium;2-(3-phenyl-2H-imidazol-2-id-1-yl)phenol;3-(6-pyridazin-3-yl-2-pyridinyl)pyridazine.
What is the SMILES notation for iridium;2-(3-phenyl-2H-imidazol-2-id-1-yl)phenol;3-(6-pyridazin-3-yl-2-pyridinyl)pyridazine?
The canonical SMILES for iridium;2-(3-phenyl-2H-imidazol-2-id-1-yl)phenol;3-(6-pyridazin-3-yl-2-pyridinyl)pyridazine is Oc1ccccc1N1C=CN(c2[c-]cccc2)[CH-]1.[Ir].c1cnnc(-c2cccc(-c3cccnn3)n2)c1.
What is the InChIKey of iridium;2-(3-phenyl-2H-imidazol-2-id-1-yl)phenol;3-(6-pyridazin-3-yl-2-pyridinyl)pyridazine?
The InChIKey is BXJNBFIAZWHOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O.C13H9N5.Ir/c18-15-9-5-4-8-14(15)17-11-10-16(12-17)13-6-2-1-3-7-13;1-4-10(12-6-2-8-14-17-12)16-11(5-1)13-7-3-9-15-18-13;/h1-6,8-12,18H;1-9H;/q-2;;.
What are the key properties of iridium;2-(3-phenyl-2H-imidazol-2-id-1-yl)phenol;3-(6-pyridazin-3-yl-2-pyridinyl)pyridazine?
iridium;2-(3-phenyl-2H-imidazol-2-id-1-yl)phenol;3-(6-pyridazin-3-yl-2-pyridinyl)pyridazine has a molecular weight of 663.74 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-(3-phenyl-2H-imidazol-2-id-1-yl)phenol;3-(6-pyridazin-3-yl-2-pyridinyl)pyridazine is sourced from PubChem (CID 171438835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).