trichlororhodium;triphenylarsane;(triphenyl-λ5-phosphanylidene)methanone

C37H30AsCl3OPRh — CID 162166641

IUPACtrichlororhodium;triphenylarsane;(triphenyl-λ5-phosphanylidene)methanone
SMILESCl[Rh](Cl)Cl.O=C=P(c1ccccc1)(c1ccccc1)c1ccccc1.c1ccc([As](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H15OP.C18H15As.3ClH.Rh/c20-16-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;/h1-15H;1-15H;3*1H;/q;;;;;+3/p-3
InChIKeyZNFJUMXSBYIOBX-UHFFFAOYSA-K
MW805.81 g/mol
LogP7.32
Rot. Bonds6

About trichlororhodium;triphenylarsane;(triphenyl-λ5-phosphanylidene)methanone

trichlororhodium;triphenylarsane;(triphenyl-λ5-phosphanylidene)methanone (PubChem CID 162166641) has the molecular formula C37H30AsCl3OPRh and a molecular weight of 805.81 g/mol. Its IUPAC name is trichlororhodium;triphenylarsane;(triphenyl-λ5-phosphanylidene)methanone.

Molecular Properties

Compound Nametrichlororhodium;triphenylarsane;(triphenyl-λ5-phosphanylidene)methanone
PubChem CID162166641
Molecular FormulaC37H30AsCl3OPRh
Molecular Weight805.81 g/mol
Exact Mass803.94
IUPAC Nametrichlororhodium;triphenylarsane;(triphenyl-λ5-phosphanylidene)methanone
SMILESCl[Rh](Cl)Cl.O=C=P(c1ccccc1)(c1ccccc1)c1ccccc1.c1ccc([As](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H15OP.C18H15As.3ClH.Rh/c20-16-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;/h1-15H;1-15H;3*1H;/q;;;;;+3/p-3
InChIKeyZNFJUMXSBYIOBX-UHFFFAOYSA-K
XLogP7.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.81
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 trichlororhodium;triphenylarsane;(triphenyl-λ5-phosphanylidene)methanone?
The IUPAC name of trichlororhodium;triphenylarsane;(triphenyl-λ5-phosphanylidene)methanone (CID 162166641) is trichlororhodium;triphenylarsane;(triphenyl-λ5-phosphanylidene)methanone.
What is the SMILES notation for trichlororhodium;triphenylarsane;(triphenyl-λ5-phosphanylidene)methanone?
The canonical SMILES for trichlororhodium;triphenylarsane;(triphenyl-λ5-phosphanylidene)methanone is Cl[Rh](Cl)Cl.O=C=P(c1ccccc1)(c1ccccc1)c1ccccc1.c1ccc([As](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of trichlororhodium;triphenylarsane;(triphenyl-λ5-phosphanylidene)methanone?
The InChIKey is ZNFJUMXSBYIOBX-UHFFFAOYSA-K. The full InChI is InChI=1S/C19H15OP.C18H15As.3ClH.Rh/c20-16-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;/h1-15H;1-15H;3*1H;/q;;;;;+3/p-3.
What are the key properties of trichlororhodium;triphenylarsane;(triphenyl-λ5-phosphanylidene)methanone?
trichlororhodium;triphenylarsane;(triphenyl-λ5-phosphanylidene)methanone has a molecular weight of 805.81 g/mol, XLogP of 7.32, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trichlororhodium;triphenylarsane;(triphenyl-λ5-phosphanylidene)methanone is sourced from PubChem (CID 162166641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).