tetrakis(bis(4-methyl-2-pyrazol-1-ylphenyl)azanide);hexakis(dichloromethane);tetrakis(rhodium(3+));octakis(triethylphosphane);tetrachloride;tetrahexafluorophosphate

C134H204Cl16F24N20P12Rh4 — CID 139137837

IUPACtetrakis(bis(4-methyl-2-pyrazol-1-ylphenyl)azanide);hexakis(dichloromethane);tetrakis(rhodium(3+));octakis(triethylphosphane);tetrachloride;tetrahexafluorophosphate
SMILESCCP(CC)CC.CCP(CC)CC.CCP(CC)CC.CCP(CC)CC.CCP(CC)CC.CCP(CC)CC.CCP(CC)CC.CCP(CC)CC.Cc1ccc([N-]c2ccc(C)cc2-n2cccn2)c(-n2cccn2)c1.Cc1ccc([N-]c2ccc(C)cc2-n2cccn2)c(-n2cccn2)c1.Cc1ccc([N-]c2ccc(C)cc2-n2cccn2)c(-n2cccn2)c1.Cc1ccc([N-]c2ccc(C)cc2-n2cccn2)c(-n2cccn2)c1.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Cl-].[Cl-].[Cl-].[Cl-].[Rh+3].[Rh+3].[Rh+3].[Rh+3]
InChIInChI=1S/4C20H18N5.8C6H15P.6CH2Cl2.4ClH.4F6P.4Rh/c4*1-15-5-7-17(19(13-15)24-11-3-9-21-24)23-18-8-6-16(2)14-20(18)25-12-4-10-22-25;8*1-4-7(5-2)6-3;6*2-1-3;;;;;4*1-7(2,3,4,5)6;;;;/h4*3-14H,1-2H3;8*4-6H2,1-3H3;6*1H2;4*1H;;;;;;;;/q4*-1;;;;;;;;;;;;;;;;;;;4*-1;4*+3/p-4
InChIKeyDDJMICRXKXLSDD-UHFFFAOYSA-J
MW3901.76 g/mol
LogP50.34
Rot. Bonds40

About tetrakis(bis(4-methyl-2-pyrazol-1-ylphenyl)azanide);hexakis(dichloromethane);tetrakis(rhodium(3+));octakis(triethylphosphane);tetrachloride;tetrahexafluorophosphate

tetrakis(bis(4-methyl-2-pyrazol-1-ylphenyl)azanide);hexakis(dichloromethane);tetrakis(rhodium(3+));octakis(triethylphosphane);tetrachloride;tetrahexafluorophosphate (PubChem CID 139137837) has the molecular formula C134H204Cl16F24N20P12Rh4 and a molecular weight of 3901.76 g/mol. Its IUPAC name is tetrakis(bis(4-methyl-2-pyrazol-1-ylphenyl)azanide);hexakis(dichloromethane);tetrakis(rhodium(3+));octakis(triethylphosphane);tetrachloride;tetrahexafluorophosphate.

Molecular Properties

Compound Nametetrakis(bis(4-methyl-2-pyrazol-1-ylphenyl)azanide);hexakis(dichloromethane);tetrakis(rhodium(3+));octakis(triethylphosphane);tetrachloride;tetrahexafluorophosphate
PubChem CID139137837
Molecular FormulaC134H204Cl16F24N20P12Rh4
Molecular Weight3901.76 g/mol
Exact Mass3892.43
IUPAC Nametetrakis(bis(4-methyl-2-pyrazol-1-ylphenyl)azanide);hexakis(dichloromethane);tetrakis(rhodium(3+));octakis(triethylphosphane);tetrachloride;tetrahexafluorophosphate
SMILESCCP(CC)CC.CCP(CC)CC.CCP(CC)CC.CCP(CC)CC.CCP(CC)CC.CCP(CC)CC.CCP(CC)CC.CCP(CC)CC.Cc1ccc([N-]c2ccc(C)cc2-n2cccn2)c(-n2cccn2)c1.Cc1ccc([N-]c2ccc(C)cc2-n2cccn2)c(-n2cccn2)c1.Cc1ccc([N-]c2ccc(C)cc2-n2cccn2)c(-n2cccn2)c1.Cc1ccc([N-]c2ccc(C)cc2-n2cccn2)c(-n2cccn2)c1.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Cl-].[Cl-].[Cl-].[Cl-].[Rh+3].[Rh+3].[Rh+3].[Rh+3]
InChIInChI=1S/4C20H18N5.8C6H15P.6CH2Cl2.4ClH.4F6P.4Rh/c4*1-15-5-7-17(19(13-15)24-11-3-9-21-24)23-18-8-6-16(2)14-20(18)25-12-4-10-22-25;8*1-4-7(5-2)6-3;6*2-1-3;;;;;4*1-7(2,3,4,5)6;;;;/h4*3-14H,1-2H3;8*4-6H2,1-3H3;6*1H2;4*1H;;;;;;;;/q4*-1;;;;;;;;;;;;;;;;;;;4*-1;4*+3/p-4
InChIKeyDDJMICRXKXLSDD-UHFFFAOYSA-J
XLogP50.34
TPSA198.96 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds40
Heavy Atoms210
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003901.76
LogP ≤ 550.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze tetrakis(bis(4-methyl-2-pyrazol-1-ylphenyl)azanide);hexakis(dichloromethane);tetrakis(rhodium(3+));octakis(triethylphosphane);tetrachloride;tetrahexafluorophosphate with MolForge

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Related Compounds

Bis((4-methyl-2-pyrazol-1-ylphenyl)-[2-pyrazol-1-yl-4-(trifluoromethyl)phenyl]azanide);nickel(2+)
CID 139142453
Tetrakis(bis(2-pyrazol-1-ylphenyl)azanide);bis(dichloromethane);bis(nickel(2+))
CID 139142451

Frequently Asked Questions

What is the IUPAC name of tetrakis(bis(4-methyl-2-pyrazol-1-ylphenyl)azanide);hexakis(dichloromethane);tetrakis(rhodium(3+));octakis(triethylphosphane);tetrachloride;tetrahexafluorophosphate?
The IUPAC name of tetrakis(bis(4-methyl-2-pyrazol-1-ylphenyl)azanide);hexakis(dichloromethane);tetrakis(rhodium(3+));octakis(triethylphosphane);tetrachloride;tetrahexafluorophosphate (CID 139137837) is tetrakis(bis(4-methyl-2-pyrazol-1-ylphenyl)azanide);hexakis(dichloromethane);tetrakis(rhodium(3+));octakis(triethylphosphane);tetrachloride;tetrahexafluorophosphate.
What is the SMILES notation for tetrakis(bis(4-methyl-2-pyrazol-1-ylphenyl)azanide);hexakis(dichloromethane);tetrakis(rhodium(3+));octakis(triethylphosphane);tetrachloride;tetrahexafluorophosphate?
The canonical SMILES for tetrakis(bis(4-methyl-2-pyrazol-1-ylphenyl)azanide);hexakis(dichloromethane);tetrakis(rhodium(3+));octakis(triethylphosphane);tetrachloride;tetrahexafluorophosphate is CCP(CC)CC.CCP(CC)CC.CCP(CC)CC.CCP(CC)CC.CCP(CC)CC.CCP(CC)CC.CCP(CC)CC.CCP(CC)CC.Cc1ccc([N-]c2ccc(C)cc2-n2cccn2)c(-n2cccn2)c1.Cc1ccc([N-]c2ccc(C)cc2-n2cccn2)c(-n2cccn2)c1.Cc1ccc([N-]c2ccc(C)cc2-n2cccn2)c(-n2cccn2)c1.Cc1ccc([N-]c2ccc(C)cc2-n2cccn2)c(-n2cccn2)c1.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Cl-].[Cl-].[Cl-].[Cl-].[Rh+3].[Rh+3].[Rh+3].[Rh+3].
What is the InChIKey of tetrakis(bis(4-methyl-2-pyrazol-1-ylphenyl)azanide);hexakis(dichloromethane);tetrakis(rhodium(3+));octakis(triethylphosphane);tetrachloride;tetrahexafluorophosphate?
The InChIKey is DDJMICRXKXLSDD-UHFFFAOYSA-J. The full InChI is InChI=1S/4C20H18N5.8C6H15P.6CH2Cl2.4ClH.4F6P.4Rh/c4*1-15-5-7-17(19(13-15)24-11-3-9-21-24)23-18-8-6-16(2)14-20(18)25-12-4-10-22-25;8*1-4-7(5-2)6-3;6*2-1-3;;;;;4*1-7(2,3,4,5)6;;;;/h4*3-14H,1-2H3;8*4-6H2,1-3H3;6*1H2;4*1H;;;;;;;;/q4*-1;;;;;;;;;;;;;;;;;;;4*-1;4*+3/p-4.
What are the key properties of tetrakis(bis(4-methyl-2-pyrazol-1-ylphenyl)azanide);hexakis(dichloromethane);tetrakis(rhodium(3+));octakis(triethylphosphane);tetrachloride;tetrahexafluorophosphate?
tetrakis(bis(4-methyl-2-pyrazol-1-ylphenyl)azanide);hexakis(dichloromethane);tetrakis(rhodium(3+));octakis(triethylphosphane);tetrachloride;tetrahexafluorophosphate has a molecular weight of 3901.76 g/mol, XLogP of 50.34, 40 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(bis(4-methyl-2-pyrazol-1-ylphenyl)azanide);hexakis(dichloromethane);tetrakis(rhodium(3+));octakis(triethylphosphane);tetrachloride;tetrahexafluorophosphate is sourced from PubChem (CID 139137837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).