carbanide;iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-1-yl)benzene-2-id-1-yl]-2H-imidazole

C16H23IrN4-3 — CID 140803197

IUPACcarbanide;iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-1-yl)benzene-2-id-1-yl]-2H-imidazole
SMILESCN1C=CN(c2[c-]c(N3C=CN(C)C3)ccc2)C1.[CH3-].[CH3-].[Ir]
InChIInChI=1S/C14H17N4.2CH3.Ir/c1-15-6-8-17(11-15)13-4-3-5-14(10-13)18-9-7-16(2)12-18;;;/h3-9H,11-12H2,1-2H3;2*1H3;/q3*-1;
InChIKeyOTJUYILENRYCIL-UHFFFAOYSA-N
MW463.61 g/mol
LogP2.75
Rot. Bonds2

About carbanide;iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-1-yl)benzene-2-id-1-yl]-2H-imidazole

carbanide;iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-1-yl)benzene-2-id-1-yl]-2H-imidazole (PubChem CID 140803197) has the molecular formula C16H23IrN4-3 and a molecular weight of 463.61 g/mol. Its IUPAC name is carbanide;iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-1-yl)benzene-2-id-1-yl]-2H-imidazole.

Molecular Properties

Compound Namecarbanide;iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-1-yl)benzene-2-id-1-yl]-2H-imidazole
PubChem CID140803197
Molecular FormulaC16H23IrN4-3
Molecular Weight463.61 g/mol
Exact Mass464.16
IUPAC Namecarbanide;iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-1-yl)benzene-2-id-1-yl]-2H-imidazole
SMILESCN1C=CN(c2[c-]c(N3C=CN(C)C3)ccc2)C1.[CH3-].[CH3-].[Ir]
InChIInChI=1S/C14H17N4.2CH3.Ir/c1-15-6-8-17(11-15)13-4-3-5-14(10-13)18-9-7-16(2)12-18;;;/h3-9H,11-12H2,1-2H3;2*1H3;/q3*-1;
InChIKeyOTJUYILENRYCIL-UHFFFAOYSA-N
XLogP2.75
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.61
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze carbanide;iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-1-yl)benzene-2-id-1-yl]-2H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of carbanide;iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-1-yl)benzene-2-id-1-yl]-2H-imidazole?
The IUPAC name of carbanide;iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-1-yl)benzene-2-id-1-yl]-2H-imidazole (CID 140803197) is carbanide;iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-1-yl)benzene-2-id-1-yl]-2H-imidazole.
What is the SMILES notation for carbanide;iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-1-yl)benzene-2-id-1-yl]-2H-imidazole?
The canonical SMILES for carbanide;iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-1-yl)benzene-2-id-1-yl]-2H-imidazole is CN1C=CN(c2[c-]c(N3C=CN(C)C3)ccc2)C1.[CH3-].[CH3-].[Ir].
What is the InChIKey of carbanide;iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-1-yl)benzene-2-id-1-yl]-2H-imidazole?
The InChIKey is OTJUYILENRYCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N4.2CH3.Ir/c1-15-6-8-17(11-15)13-4-3-5-14(10-13)18-9-7-16(2)12-18;;;/h3-9H,11-12H2,1-2H3;2*1H3;/q3*-1;.
What are the key properties of carbanide;iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-1-yl)benzene-2-id-1-yl]-2H-imidazole?
carbanide;iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-1-yl)benzene-2-id-1-yl]-2H-imidazole has a molecular weight of 463.61 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-1-yl)benzene-2-id-1-yl]-2H-imidazole is sourced from PubChem (CID 140803197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).