carbon monoxide;dichlororhodium;bis(triphenylphosphane)

C38H30Cl2O2P2Rh — CID 11136420

IUPACcarbon monoxide;dichlororhodium;bis(triphenylphosphane)
SMILESCl[Rh]Cl.[C-]#[O+].[C-]#[O+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.2CO.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;2*1-2;;;/h2*1-15H;;;2*1H;/q;;;;;;+2/p-2
InChIKeyFPZAUDCBVUULJF-UHFFFAOYSA-L
MW754.42 g/mol
LogP8.19
Rot. Bonds6

About carbon monoxide;dichlororhodium;bis(triphenylphosphane)

carbon monoxide;dichlororhodium;bis(triphenylphosphane) (PubChem CID 11136420) has the molecular formula C38H30Cl2O2P2Rh and a molecular weight of 754.42 g/mol. Its IUPAC name is carbon monoxide;dichlororhodium;bis(triphenylphosphane).

Molecular Properties

Compound Namecarbon monoxide;dichlororhodium;bis(triphenylphosphane)
PubChem CID11136420
Molecular FormulaC38H30Cl2O2P2Rh
Molecular Weight754.42 g/mol
Exact Mass753.02
IUPAC Namecarbon monoxide;dichlororhodium;bis(triphenylphosphane)
SMILESCl[Rh]Cl.[C-]#[O+].[C-]#[O+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.2CO.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;2*1-2;;;/h2*1-15H;;;2*1H;/q;;;;;;+2/p-2
InChIKeyFPZAUDCBVUULJF-UHFFFAOYSA-L
XLogP8.19
TPSA39.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.42
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;dichlororhodium;bis(triphenylphosphane)?
The IUPAC name of carbon monoxide;dichlororhodium;bis(triphenylphosphane) (CID 11136420) is carbon monoxide;dichlororhodium;bis(triphenylphosphane).
What is the SMILES notation for carbon monoxide;dichlororhodium;bis(triphenylphosphane)?
The canonical SMILES for carbon monoxide;dichlororhodium;bis(triphenylphosphane) is Cl[Rh]Cl.[C-]#[O+].[C-]#[O+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of carbon monoxide;dichlororhodium;bis(triphenylphosphane)?
The InChIKey is FPZAUDCBVUULJF-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H15P.2CO.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;2*1-2;;;/h2*1-15H;;;2*1H;/q;;;;;;+2/p-2.
What are the key properties of carbon monoxide;dichlororhodium;bis(triphenylphosphane)?
carbon monoxide;dichlororhodium;bis(triphenylphosphane) has a molecular weight of 754.42 g/mol, XLogP of 8.19, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;dichlororhodium;bis(triphenylphosphane) is sourced from PubChem (CID 11136420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).