iridium(3+);bis(2-phenylquinoline);2-pyridin-2-yl-1H-benzimidazole;hexafluorophosphate

C42H29F6IrN5P — CID 73330355

IUPACiridium(3+);bis(2-phenylquinoline);2-pyridin-2-yl-1H-benzimidazole;hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.[Ir+3].[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1.c1ccc(-c2nc3ccccc3[nH]2)nc1
InChIInChI=1S/2C15H10N.C12H9N3.F6P.Ir/c2*1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11;1-7(2,3,4,5)6;/h2*1-6,8-11H;1-8H,(H,14,15);;/q2*-1;;-1;+3
InChIKeyOEWDIRKVNDTCDH-UHFFFAOYSA-N
MW940.91 g/mol
LogP13.41
Rot. Bonds3

About iridium(3+);bis(2-phenylquinoline);2-pyridin-2-yl-1H-benzimidazole;hexafluorophosphate

iridium(3+);bis(2-phenylquinoline);2-pyridin-2-yl-1H-benzimidazole;hexafluorophosphate (PubChem CID 73330355) has the molecular formula C42H29F6IrN5P and a molecular weight of 940.91 g/mol. Its IUPAC name is iridium(3+);bis(2-phenylquinoline);2-pyridin-2-yl-1H-benzimidazole;hexafluorophosphate.

Molecular Properties

Compound Nameiridium(3+);bis(2-phenylquinoline);2-pyridin-2-yl-1H-benzimidazole;hexafluorophosphate
PubChem CID73330355
Molecular FormulaC42H29F6IrN5P
Molecular Weight940.91 g/mol
Exact Mass941.17
IUPAC Nameiridium(3+);bis(2-phenylquinoline);2-pyridin-2-yl-1H-benzimidazole;hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.[Ir+3].[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1.c1ccc(-c2nc3ccccc3[nH]2)nc1
InChIInChI=1S/2C15H10N.C12H9N3.F6P.Ir/c2*1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11;1-7(2,3,4,5)6;/h2*1-6,8-11H;1-8H,(H,14,15);;/q2*-1;;-1;+3
InChIKeyOEWDIRKVNDTCDH-UHFFFAOYSA-N
XLogP13.41
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500940.91
LogP ≤ 513.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze iridium(3+);bis(2-phenylquinoline);2-pyridin-2-yl-1H-benzimidazole;hexafluorophosphate 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 iridium(3+);bis(2-phenylquinoline);2-pyridin-2-yl-1H-benzimidazole;hexafluorophosphate?
The IUPAC name of iridium(3+);bis(2-phenylquinoline);2-pyridin-2-yl-1H-benzimidazole;hexafluorophosphate (CID 73330355) is iridium(3+);bis(2-phenylquinoline);2-pyridin-2-yl-1H-benzimidazole;hexafluorophosphate.
What is the SMILES notation for iridium(3+);bis(2-phenylquinoline);2-pyridin-2-yl-1H-benzimidazole;hexafluorophosphate?
The canonical SMILES for iridium(3+);bis(2-phenylquinoline);2-pyridin-2-yl-1H-benzimidazole;hexafluorophosphate is F[P-](F)(F)(F)(F)F.[Ir+3].[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1.c1ccc(-c2nc3ccccc3[nH]2)nc1.
What is the InChIKey of iridium(3+);bis(2-phenylquinoline);2-pyridin-2-yl-1H-benzimidazole;hexafluorophosphate?
The InChIKey is OEWDIRKVNDTCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H10N.C12H9N3.F6P.Ir/c2*1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11;1-7(2,3,4,5)6;/h2*1-6,8-11H;1-8H,(H,14,15);;/q2*-1;;-1;+3.
What are the key properties of iridium(3+);bis(2-phenylquinoline);2-pyridin-2-yl-1H-benzimidazole;hexafluorophosphate?
iridium(3+);bis(2-phenylquinoline);2-pyridin-2-yl-1H-benzimidazole;hexafluorophosphate has a molecular weight of 940.91 g/mol, XLogP of 13.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium(3+);bis(2-phenylquinoline);2-pyridin-2-yl-1H-benzimidazole;hexafluorophosphate is sourced from PubChem (CID 73330355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).