bis(dichloromethane);bis(iridium);hexakis(2-pyridin-2-ylpropan-2-olate);dihexafluorophosphate

C50H64Cl4F12Ir2N6O6P2-8 — CID 139124173

IUPACbis(dichloromethane);bis(iridium);hexakis(2-pyridin-2-ylpropan-2-olate);dihexafluorophosphate
SMILESCC(C)([O-])c1ccccn1.CC(C)([O-])c1ccccn1.CC(C)([O-])c1ccccn1.CC(C)([O-])c1ccccn1.CC(C)([O-])c1ccccn1.CC(C)([O-])c1ccccn1.ClCCl.ClCCl.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ir].[Ir]
InChIInChI=1S/6C8H10NO.2CH2Cl2.2F6P.2Ir/c6*1-8(2,10)7-5-3-4-6-9-7;2*2-1-3;2*1-7(2,3,4,5)6;;/h6*3-6H,1-2H3;2*1H2;;;;/q6*-1;;;2*-1;;
InChIKeyACKLVXORHGDLNY-UHFFFAOYSA-N
MW1661.27 g/mol
LogP13.66
Rot. Bonds6

About bis(dichloromethane);bis(iridium);hexakis(2-pyridin-2-ylpropan-2-olate);dihexafluorophosphate

bis(dichloromethane);bis(iridium);hexakis(2-pyridin-2-ylpropan-2-olate);dihexafluorophosphate (PubChem CID 139124173) has the molecular formula C50H64Cl4F12Ir2N6O6P2-8 and a molecular weight of 1661.27 g/mol. Its IUPAC name is bis(dichloromethane);bis(iridium);hexakis(2-pyridin-2-ylpropan-2-olate);dihexafluorophosphate.

Molecular Properties

Compound Namebis(dichloromethane);bis(iridium);hexakis(2-pyridin-2-ylpropan-2-olate);dihexafluorophosphate
PubChem CID139124173
Molecular FormulaC50H64Cl4F12Ir2N6O6P2-8
Molecular Weight1661.27 g/mol
Exact Mass1660.22
IUPAC Namebis(dichloromethane);bis(iridium);hexakis(2-pyridin-2-ylpropan-2-olate);dihexafluorophosphate
SMILESCC(C)([O-])c1ccccn1.CC(C)([O-])c1ccccn1.CC(C)([O-])c1ccccn1.CC(C)([O-])c1ccccn1.CC(C)([O-])c1ccccn1.CC(C)([O-])c1ccccn1.ClCCl.ClCCl.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ir].[Ir]
InChIInChI=1S/6C8H10NO.2CH2Cl2.2F6P.2Ir/c6*1-8(2,10)7-5-3-4-6-9-7;2*2-1-3;2*1-7(2,3,4,5)6;;/h6*3-6H,1-2H3;2*1H2;;;;/q6*-1;;;2*-1;;
InChIKeyACKLVXORHGDLNY-UHFFFAOYSA-N
XLogP13.66
TPSA215.70 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001661.27
LogP ≤ 513.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze bis(dichloromethane);bis(iridium);hexakis(2-pyridin-2-ylpropan-2-olate);dihexafluorophosphate 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

Dichloromethane;iridium;tris(2-pyridin-2-ylpropan-2-olate);hexafluorophosphate
CID 139124174
(5) Ti(Opy)2(Obut)2
CID 139128835
Bis(manganese(2+));bis(tris(6-pyridin-2-yl-2-pyridinyl)methanol);tetraperchlorate;dihydrate
CID 139161442
Bis(cadmium(2+));methanol;bis(tris(6-pyridin-2-yl-2-pyridinyl)methanol);tetraperchlorate
CID 139161444
bis(dichloromethane);tetrakis((2R,4S)-2,4-dipyridin-2-ylpentane-2,4-diolate);tetrakis(manganese(3+));diacetate;dihexafluorophosphate
CID 139177903
dicopper;bis((2S,4R)-2,4-dipyridin-2-ylpentane-2,4-diolate);tetrahydrate
CID 139177915
Nickel(3+);tris(pyridine);bis(2-pyridin-2-ylpropan-2-olate);hexafluorophosphate
CID 168306172

Frequently Asked Questions

What is the IUPAC name of bis(dichloromethane);bis(iridium);hexakis(2-pyridin-2-ylpropan-2-olate);dihexafluorophosphate?
The IUPAC name of bis(dichloromethane);bis(iridium);hexakis(2-pyridin-2-ylpropan-2-olate);dihexafluorophosphate (CID 139124173) is bis(dichloromethane);bis(iridium);hexakis(2-pyridin-2-ylpropan-2-olate);dihexafluorophosphate.
What is the SMILES notation for bis(dichloromethane);bis(iridium);hexakis(2-pyridin-2-ylpropan-2-olate);dihexafluorophosphate?
The canonical SMILES for bis(dichloromethane);bis(iridium);hexakis(2-pyridin-2-ylpropan-2-olate);dihexafluorophosphate is CC(C)([O-])c1ccccn1.CC(C)([O-])c1ccccn1.CC(C)([O-])c1ccccn1.CC(C)([O-])c1ccccn1.CC(C)([O-])c1ccccn1.CC(C)([O-])c1ccccn1.ClCCl.ClCCl.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ir].[Ir].
What is the InChIKey of bis(dichloromethane);bis(iridium);hexakis(2-pyridin-2-ylpropan-2-olate);dihexafluorophosphate?
The InChIKey is ACKLVXORHGDLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/6C8H10NO.2CH2Cl2.2F6P.2Ir/c6*1-8(2,10)7-5-3-4-6-9-7;2*2-1-3;2*1-7(2,3,4,5)6;;/h6*3-6H,1-2H3;2*1H2;;;;/q6*-1;;;2*-1;;.
What are the key properties of bis(dichloromethane);bis(iridium);hexakis(2-pyridin-2-ylpropan-2-olate);dihexafluorophosphate?
bis(dichloromethane);bis(iridium);hexakis(2-pyridin-2-ylpropan-2-olate);dihexafluorophosphate has a molecular weight of 1661.27 g/mol, XLogP of 13.66, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dichloromethane);bis(iridium);hexakis(2-pyridin-2-ylpropan-2-olate);dihexafluorophosphate is sourced from PubChem (CID 139124173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).