2,3-dimethyl-5-phenyl-10H-imidazo[1,2-c][1,3,2]benzoxazaphosphinin-10-ide 5-oxide;iridium

C17H14IrN2O2P- — CID 140688498

IUPAC2,3-dimethyl-5-phenyl-10H-imidazo[1,2-c][1,3,2]benzoxazaphosphinin-10-ide 5-oxide;iridium
SMILESCc1nc2n(c1C)P(=O)(c1ccccc1)Oc1ccc[c-]c1-2.[Ir]
InChIInChI=1S/C17H14N2O2P.Ir/c1-12-13(2)19-17(18-12)15-10-6-7-11-16(15)21-22(19,20)14-8-4-3-5-9-14;/h3-9,11H,1-2H3;/q-1;
InChIKeyQLFAIQPKGLXPEE-UHFFFAOYSA-N
MW501.50 g/mol
LogP3.72
Rot. Bonds1

About 2,3-dimethyl-5-phenyl-10H-imidazo[1,2-c][1,3,2]benzoxazaphosphinin-10-ide 5-oxide;iridium

2,3-dimethyl-5-phenyl-10H-imidazo[1,2-c][1,3,2]benzoxazaphosphinin-10-ide 5-oxide;iridium (PubChem CID 140688498) has the molecular formula C17H14IrN2O2P- and a molecular weight of 501.50 g/mol. Its IUPAC name is 2,3-dimethyl-5-phenyl-10H-imidazo[1,2-c][1,3,2]benzoxazaphosphinin-10-ide 5-oxide;iridium.

Molecular Properties

Compound Name2,3-dimethyl-5-phenyl-10H-imidazo[1,2-c][1,3,2]benzoxazaphosphinin-10-ide 5-oxide;iridium
PubChem CID140688498
Molecular FormulaC17H14IrN2O2P-
Molecular Weight501.50 g/mol
Exact Mass502.04
IUPAC Name2,3-dimethyl-5-phenyl-10H-imidazo[1,2-c][1,3,2]benzoxazaphosphinin-10-ide 5-oxide;iridium
SMILESCc1nc2n(c1C)P(=O)(c1ccccc1)Oc1ccc[c-]c1-2.[Ir]
InChIInChI=1S/C17H14N2O2P.Ir/c1-12-13(2)19-17(18-12)15-10-6-7-11-16(15)21-22(19,20)14-8-4-3-5-9-14;/h3-9,11H,1-2H3;/q-1;
InChIKeyQLFAIQPKGLXPEE-UHFFFAOYSA-N
XLogP3.72
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.50
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,3-dimethyl-5-phenyl-10H-imidazo[1,2-c][1,3,2]benzoxazaphosphinin-10-ide 5-oxide;iridium 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 2,3-dimethyl-5-phenyl-10H-imidazo[1,2-c][1,3,2]benzoxazaphosphinin-10-ide 5-oxide;iridium?
The IUPAC name of 2,3-dimethyl-5-phenyl-10H-imidazo[1,2-c][1,3,2]benzoxazaphosphinin-10-ide 5-oxide;iridium (CID 140688498) is 2,3-dimethyl-5-phenyl-10H-imidazo[1,2-c][1,3,2]benzoxazaphosphinin-10-ide 5-oxide;iridium.
What is the SMILES notation for 2,3-dimethyl-5-phenyl-10H-imidazo[1,2-c][1,3,2]benzoxazaphosphinin-10-ide 5-oxide;iridium?
The canonical SMILES for 2,3-dimethyl-5-phenyl-10H-imidazo[1,2-c][1,3,2]benzoxazaphosphinin-10-ide 5-oxide;iridium is Cc1nc2n(c1C)P(=O)(c1ccccc1)Oc1ccc[c-]c1-2.[Ir].
What is the InChIKey of 2,3-dimethyl-5-phenyl-10H-imidazo[1,2-c][1,3,2]benzoxazaphosphinin-10-ide 5-oxide;iridium?
The InChIKey is QLFAIQPKGLXPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2P.Ir/c1-12-13(2)19-17(18-12)15-10-6-7-11-16(15)21-22(19,20)14-8-4-3-5-9-14;/h3-9,11H,1-2H3;/q-1;.
What are the key properties of 2,3-dimethyl-5-phenyl-10H-imidazo[1,2-c][1,3,2]benzoxazaphosphinin-10-ide 5-oxide;iridium?
2,3-dimethyl-5-phenyl-10H-imidazo[1,2-c][1,3,2]benzoxazaphosphinin-10-ide 5-oxide;iridium has a molecular weight of 501.50 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-phenyl-10H-imidazo[1,2-c][1,3,2]benzoxazaphosphinin-10-ide 5-oxide;iridium is sourced from PubChem (CID 140688498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).