trichlororhodium;triphenylphosphane;1,2-xylene

C26H25Cl3PRh — CID 174728734

IUPACtrichlororhodium;triphenylphosphane;1,2-xylene
SMILESCc1ccccc1C.Cl[Rh](Cl)Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C8H10.3ClH.Rh/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-5-3-4-6-8(7)2;;;;/h1-15H;3-6H,1-2H3;3*1H;/q;;;;;+3/p-3
InChIKeyVUKWBVLLGFFDBL-UHFFFAOYSA-K
MW577.73 g/mol
LogP7.81
Rot. Bonds3

About trichlororhodium;triphenylphosphane;1,2-xylene

trichlororhodium;triphenylphosphane;1,2-xylene (PubChem CID 174728734) has the molecular formula C26H25Cl3PRh and a molecular weight of 577.73 g/mol. Its IUPAC name is trichlororhodium;triphenylphosphane;1,2-xylene.

Molecular Properties

Compound Nametrichlororhodium;triphenylphosphane;1,2-xylene
PubChem CID174728734
Molecular FormulaC26H25Cl3PRh
Molecular Weight577.73 g/mol
Exact Mass575.98
IUPAC Nametrichlororhodium;triphenylphosphane;1,2-xylene
SMILESCc1ccccc1C.Cl[Rh](Cl)Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C8H10.3ClH.Rh/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-5-3-4-6-8(7)2;;;;/h1-15H;3-6H,1-2H3;3*1H;/q;;;;;+3/p-3
InChIKeyVUKWBVLLGFFDBL-UHFFFAOYSA-K
XLogP7.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.73
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trichlororhodium;triphenylphosphane;1,2-xylene?
The IUPAC name of trichlororhodium;triphenylphosphane;1,2-xylene (CID 174728734) is trichlororhodium;triphenylphosphane;1,2-xylene.
What is the SMILES notation for trichlororhodium;triphenylphosphane;1,2-xylene?
The canonical SMILES for trichlororhodium;triphenylphosphane;1,2-xylene is Cc1ccccc1C.Cl[Rh](Cl)Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of trichlororhodium;triphenylphosphane;1,2-xylene?
The InChIKey is VUKWBVLLGFFDBL-UHFFFAOYSA-K. The full InChI is InChI=1S/C18H15P.C8H10.3ClH.Rh/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-5-3-4-6-8(7)2;;;;/h1-15H;3-6H,1-2H3;3*1H;/q;;;;;+3/p-3.
What are the key properties of trichlororhodium;triphenylphosphane;1,2-xylene?
trichlororhodium;triphenylphosphane;1,2-xylene has a molecular weight of 577.73 g/mol, XLogP of 7.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trichlororhodium;triphenylphosphane;1,2-xylene is sourced from PubChem (CID 174728734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).