dichloro(hydrido)rhodium;3,5-dimethyl-1H-pyrazole;bis(triphenylphosphanium)

C41H40Cl2N2P2Rh+2 — CID 6395258

IUPACdichloro(hydrido)rhodium;3,5-dimethyl-1H-pyrazole;bis(triphenylphosphanium)
SMILESCc1cc(C)[nH]n1.Cl[Rh]Cl.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.C5H8N2.2ClH.Rh/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-3-5(2)7-6-4;;;/h2*1-15H;3H,1-2H3,(H,6,7);2*1H;/q;;;;;+2
InChIKeyZPZPEROSUHIDFT-UHFFFAOYSA-N
MW796.55 g/mol
LogP8.76
Rot. Bonds6

About dichloro(hydrido)rhodium;3,5-dimethyl-1H-pyrazole;bis(triphenylphosphanium)

dichloro(hydrido)rhodium;3,5-dimethyl-1H-pyrazole;bis(triphenylphosphanium) (PubChem CID 6395258) has the molecular formula C41H40Cl2N2P2Rh+2 and a molecular weight of 796.55 g/mol. Its IUPAC name is dichloro(hydrido)rhodium;3,5-dimethyl-1H-pyrazole;bis(triphenylphosphanium).

Molecular Properties

Compound Namedichloro(hydrido)rhodium;3,5-dimethyl-1H-pyrazole;bis(triphenylphosphanium)
PubChem CID6395258
Molecular FormulaC41H40Cl2N2P2Rh+2
Molecular Weight796.55 g/mol
Exact Mass795.11
IUPAC Namedichloro(hydrido)rhodium;3,5-dimethyl-1H-pyrazole;bis(triphenylphosphanium)
SMILESCc1cc(C)[nH]n1.Cl[Rh]Cl.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.C5H8N2.2ClH.Rh/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-3-5(2)7-6-4;;;/h2*1-15H;3H,1-2H3,(H,6,7);2*1H;/q;;;;;+2
InChIKeyZPZPEROSUHIDFT-UHFFFAOYSA-N
XLogP8.76
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.55
LogP ≤ 58.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichloro(hydrido)rhodium;3,5-dimethyl-1H-pyrazole;bis(triphenylphosphanium)?
The IUPAC name of dichloro(hydrido)rhodium;3,5-dimethyl-1H-pyrazole;bis(triphenylphosphanium) (CID 6395258) is dichloro(hydrido)rhodium;3,5-dimethyl-1H-pyrazole;bis(triphenylphosphanium).
What is the SMILES notation for dichloro(hydrido)rhodium;3,5-dimethyl-1H-pyrazole;bis(triphenylphosphanium)?
The canonical SMILES for dichloro(hydrido)rhodium;3,5-dimethyl-1H-pyrazole;bis(triphenylphosphanium) is Cc1cc(C)[nH]n1.Cl[Rh]Cl.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of dichloro(hydrido)rhodium;3,5-dimethyl-1H-pyrazole;bis(triphenylphosphanium)?
The InChIKey is ZPZPEROSUHIDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H15P.C5H8N2.2ClH.Rh/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-3-5(2)7-6-4;;;/h2*1-15H;3H,1-2H3,(H,6,7);2*1H;/q;;;;;+2.
What are the key properties of dichloro(hydrido)rhodium;3,5-dimethyl-1H-pyrazole;bis(triphenylphosphanium)?
dichloro(hydrido)rhodium;3,5-dimethyl-1H-pyrazole;bis(triphenylphosphanium) has a molecular weight of 796.55 g/mol, XLogP of 8.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(hydrido)rhodium;3,5-dimethyl-1H-pyrazole;bis(triphenylphosphanium) is sourced from PubChem (CID 6395258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).