CID 134899849

C39H35Cl2P2Rh — CID 134899849

IUPAC—
SMILESCl[Rh]Cl.[CH2]C=C.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.C3H5.2ClH.Rh/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-2;;;/h2*1-15H;3H,1-2H2;2*1H;/q;;;;;+2/p-2
InChIKeyTYKKLWQTYQJLPJ-UHFFFAOYSA-L
MW739.47 g/mol
LogP9.27
Rot. Bonds6

About CID 134899849

CID 134899849 (PubChem CID 134899849) has the molecular formula C39H35Cl2P2Rh and a molecular weight of 739.47 g/mol.

Molecular Properties

Compound NameCID 134899849
PubChem CID134899849
Molecular FormulaC39H35Cl2P2Rh
Molecular Weight739.47 g/mol
Exact Mass738.06
IUPAC Name—
SMILESCl[Rh]Cl.[CH2]C=C.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.C3H5.2ClH.Rh/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-2;;;/h2*1-15H;3H,1-2H2;2*1H;/q;;;;;+2/p-2
InChIKeyTYKKLWQTYQJLPJ-UHFFFAOYSA-L
XLogP9.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.47
LogP ≤ 59.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

carbon monoxide;dichlororhodium;bis(triphenylphosphane)
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triphenylphosphane
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chlorogold;triphenylphosphane
CID 10874691
ethene;platinum;triphenylphosphane
CID 11071312
chlorosilver;triphenylphosphane
CID 12824775
plutonium;triphenylphosphane
CID 161300359
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
triphenylphosphane;yttrium
CID 139917776
tris(triphenylphosphane);trihydrochloride
CID 173282987
tris(triphenylphosphane);hydrobromide
CID 172722268
palladium;bis(triphenylphosphane)
CID 10122028
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134

Frequently Asked Questions

What is the IUPAC name of CID 134899849?
The IUPAC name of CID 134899849 (CID 134899849) is not available.
What is the SMILES notation for CID 134899849?
The canonical SMILES for CID 134899849 is Cl[Rh]Cl.[CH2]C=C.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of CID 134899849?
The InChIKey is TYKKLWQTYQJLPJ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H15P.C3H5.2ClH.Rh/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-2;;;/h2*1-15H;3H,1-2H2;2*1H;/q;;;;;+2/p-2.
What are the key properties of CID 134899849?
CID 134899849 has a molecular weight of 739.47 g/mol, XLogP of 9.27, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134899849 is sourced from PubChem (CID 134899849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).