2-dimethylphosphaniumylethyl(dimethyl)phosphanium;(2-dimethylphosphaniumylphenyl)-dimethylphosphanium;diphenyl-(4H-pyrazol-1-ium-1-yl)-pyrazol-1-ylboranuide;ethane;tetrakis(iridium);phenyl-(4H-pyrazol-1-ium-1-yl)-di(pyrazol-1-yl)boranuide

C69H128B2Ir4N10P4+4 — CID 158455034

IUPAC2-dimethylphosphaniumylethyl(dimethyl)phosphanium;(2-dimethylphosphaniumylphenyl)-dimethylphosphanium;diphenyl-(4H-pyrazol-1-ium-1-yl)-pyrazol-1-ylboranuide;ethane;tetrakis(iridium);phenyl-(4H-pyrazol-1-ium-1-yl)-di(pyrazol-1-yl)boranuide
SMILESC1=N[N+]([B-](c2ccccc2)(c2ccccc2)n2cccn2)=CC1.C1=N[N+]([B-](c2ccccc2)(n2cccn2)n2cccn2)=CC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.C[PH+](C)CC[PH+](C)C.C[PH+](C)c1ccccc1[PH+](C)C.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C18H17BN4.C15H15BN6.C10H16P2.C6H16P2.10C2H6.4Ir/c1-3-9-17(10-4-1)19(22-15-7-13-20-22,23-16-8-14-21-23)18-11-5-2-6-12-18;1-2-7-15(8-3-1)16(20-12-4-9-17-20,21-13-5-10-18-21)22-14-6-11-19-22;1-11(2)9-7-5-6-8-10(9)12(3)4;1-7(2)5-6-8(3)4;10*1-2;;;;/h1-7,9-16H,8H2;1-5,7-14H,6H2;5-8H,1-4H3;5-6H2,1-4H3;10*1-2H3;;;;/p+4
InChIKeyUTVTVIHHQKUWDG-UHFFFAOYSA-R
MW2012.24 g/mol
LogP16.33
Rot. Bonds13

About 2-dimethylphosphaniumylethyl(dimethyl)phosphanium;(2-dimethylphosphaniumylphenyl)-dimethylphosphanium;diphenyl-(4H-pyrazol-1-ium-1-yl)-pyrazol-1-ylboranuide;ethane;tetrakis(iridium);phenyl-(4H-pyrazol-1-ium-1-yl)-di(pyrazol-1-yl)boranuide

2-dimethylphosphaniumylethyl(dimethyl)phosphanium;(2-dimethylphosphaniumylphenyl)-dimethylphosphanium;diphenyl-(4H-pyrazol-1-ium-1-yl)-pyrazol-1-ylboranuide;ethane;tetrakis(iridium);phenyl-(4H-pyrazol-1-ium-1-yl)-di(pyrazol-1-yl)boranuide (PubChem CID 158455034) has the molecular formula C69H128B2Ir4N10P4+4 and a molecular weight of 2012.24 g/mol. Its IUPAC name is 2-dimethylphosphaniumylethyl(dimethyl)phosphanium;(2-dimethylphosphaniumylphenyl)-dimethylphosphanium;diphenyl-(4H-pyrazol-1-ium-1-yl)-pyrazol-1-ylboranuide;ethane;tetrakis(iridium);phenyl-(4H-pyrazol-1-ium-1-yl)-di(pyrazol-1-yl)boranuide.

Molecular Properties

Compound Name2-dimethylphosphaniumylethyl(dimethyl)phosphanium;(2-dimethylphosphaniumylphenyl)-dimethylphosphanium;diphenyl-(4H-pyrazol-1-ium-1-yl)-pyrazol-1-ylboranuide;ethane;tetrakis(iridium);phenyl-(4H-pyrazol-1-ium-1-yl)-di(pyrazol-1-yl)boranuide
PubChem CID158455034
Molecular FormulaC69H128B2Ir4N10P4+4
Molecular Weight2012.24 g/mol
Exact Mass2014.80
IUPAC Name2-dimethylphosphaniumylethyl(dimethyl)phosphanium;(2-dimethylphosphaniumylphenyl)-dimethylphosphanium;diphenyl-(4H-pyrazol-1-ium-1-yl)-pyrazol-1-ylboranuide;ethane;tetrakis(iridium);phenyl-(4H-pyrazol-1-ium-1-yl)-di(pyrazol-1-yl)boranuide
SMILESC1=N[N+]([B-](c2ccccc2)(c2ccccc2)n2cccn2)=CC1.C1=N[N+]([B-](c2ccccc2)(n2cccn2)n2cccn2)=CC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.C[PH+](C)CC[PH+](C)C.C[PH+](C)c1ccccc1[PH+](C)C.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C18H17BN4.C15H15BN6.C10H16P2.C6H16P2.10C2H6.4Ir/c1-3-9-17(10-4-1)19(22-15-7-13-20-22,23-16-8-14-21-23)18-11-5-2-6-12-18;1-2-7-15(8-3-1)16(20-12-4-9-17-20,21-13-5-10-18-21)22-14-6-11-19-22;1-11(2)9-7-5-6-8-10(9)12(3)4;1-7(2)5-6-8(3)4;10*1-2;;;;/h1-7,9-16H,8H2;1-5,7-14H,6H2;5-8H,1-4H3;5-6H2,1-4H3;10*1-2H3;;;;/p+4
InChIKeyUTVTVIHHQKUWDG-UHFFFAOYSA-R
XLogP16.33
TPSA84.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002012.24
LogP ≤ 516.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-dimethylphosphaniumylethyl(dimethyl)phosphanium;(2-dimethylphosphaniumylphenyl)-dimethylphosphanium;diphenyl-(4H-pyrazol-1-ium-1-yl)-pyrazol-1-ylboranuide;ethane;tetrakis(iridium);phenyl-(4H-pyrazol-1-ium-1-yl)-di(pyrazol-1-yl)boranuide?
The IUPAC name of 2-dimethylphosphaniumylethyl(dimethyl)phosphanium;(2-dimethylphosphaniumylphenyl)-dimethylphosphanium;diphenyl-(4H-pyrazol-1-ium-1-yl)-pyrazol-1-ylboranuide;ethane;tetrakis(iridium);phenyl-(4H-pyrazol-1-ium-1-yl)-di(pyrazol-1-yl)boranuide (CID 158455034) is 2-dimethylphosphaniumylethyl(dimethyl)phosphanium;(2-dimethylphosphaniumylphenyl)-dimethylphosphanium;diphenyl-(4H-pyrazol-1-ium-1-yl)-pyrazol-1-ylboranuide;ethane;tetrakis(iridium);phenyl-(4H-pyrazol-1-ium-1-yl)-di(pyrazol-1-yl)boranuide.
What is the SMILES notation for 2-dimethylphosphaniumylethyl(dimethyl)phosphanium;(2-dimethylphosphaniumylphenyl)-dimethylphosphanium;diphenyl-(4H-pyrazol-1-ium-1-yl)-pyrazol-1-ylboranuide;ethane;tetrakis(iridium);phenyl-(4H-pyrazol-1-ium-1-yl)-di(pyrazol-1-yl)boranuide?
The canonical SMILES for 2-dimethylphosphaniumylethyl(dimethyl)phosphanium;(2-dimethylphosphaniumylphenyl)-dimethylphosphanium;diphenyl-(4H-pyrazol-1-ium-1-yl)-pyrazol-1-ylboranuide;ethane;tetrakis(iridium);phenyl-(4H-pyrazol-1-ium-1-yl)-di(pyrazol-1-yl)boranuide is C1=N[N+]([B-](c2ccccc2)(c2ccccc2)n2cccn2)=CC1.C1=N[N+]([B-](c2ccccc2)(n2cccn2)n2cccn2)=CC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.C[PH+](C)CC[PH+](C)C.C[PH+](C)c1ccccc1[PH+](C)C.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 2-dimethylphosphaniumylethyl(dimethyl)phosphanium;(2-dimethylphosphaniumylphenyl)-dimethylphosphanium;diphenyl-(4H-pyrazol-1-ium-1-yl)-pyrazol-1-ylboranuide;ethane;tetrakis(iridium);phenyl-(4H-pyrazol-1-ium-1-yl)-di(pyrazol-1-yl)boranuide?
The InChIKey is UTVTVIHHQKUWDG-UHFFFAOYSA-R. The full InChI is InChI=1S/C18H17BN4.C15H15BN6.C10H16P2.C6H16P2.10C2H6.4Ir/c1-3-9-17(10-4-1)19(22-15-7-13-20-22,23-16-8-14-21-23)18-11-5-2-6-12-18;1-2-7-15(8-3-1)16(20-12-4-9-17-20,21-13-5-10-18-21)22-14-6-11-19-22;1-11(2)9-7-5-6-8-10(9)12(3)4;1-7(2)5-6-8(3)4;10*1-2;;;;/h1-7,9-16H,8H2;1-5,7-14H,6H2;5-8H,1-4H3;5-6H2,1-4H3;10*1-2H3;;;;/p+4.
What are the key properties of 2-dimethylphosphaniumylethyl(dimethyl)phosphanium;(2-dimethylphosphaniumylphenyl)-dimethylphosphanium;diphenyl-(4H-pyrazol-1-ium-1-yl)-pyrazol-1-ylboranuide;ethane;tetrakis(iridium);phenyl-(4H-pyrazol-1-ium-1-yl)-di(pyrazol-1-yl)boranuide?
2-dimethylphosphaniumylethyl(dimethyl)phosphanium;(2-dimethylphosphaniumylphenyl)-dimethylphosphanium;diphenyl-(4H-pyrazol-1-ium-1-yl)-pyrazol-1-ylboranuide;ethane;tetrakis(iridium);phenyl-(4H-pyrazol-1-ium-1-yl)-di(pyrazol-1-yl)boranuide has a molecular weight of 2012.24 g/mol, XLogP of 16.33, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylphosphaniumylethyl(dimethyl)phosphanium;(2-dimethylphosphaniumylphenyl)-dimethylphosphanium;diphenyl-(4H-pyrazol-1-ium-1-yl)-pyrazol-1-ylboranuide;ethane;tetrakis(iridium);phenyl-(4H-pyrazol-1-ium-1-yl)-di(pyrazol-1-yl)boranuide is sourced from PubChem (CID 158455034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).