hydrido(oxomethylidene)rhodium;tris(triphenylphosphane)

C55H45OP3Rh — CID 157050156

IUPAChydrido(oxomethylidene)rhodium;tris(triphenylphosphane)
SMILESO=C=[Rh].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C18H15P.CO.Rh/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;/h3*1-15H;;
InChIKeyIETKMTGYQIVLRF-UHFFFAOYSA-N
MW917.79 g/mol
LogP9.93
Rot. Bonds9

About hydrido(oxomethylidene)rhodium;tris(triphenylphosphane)

hydrido(oxomethylidene)rhodium;tris(triphenylphosphane) (PubChem CID 157050156) has the molecular formula C55H45OP3Rh and a molecular weight of 917.79 g/mol. Its IUPAC name is hydrido(oxomethylidene)rhodium;tris(triphenylphosphane).

Molecular Properties

Compound Namehydrido(oxomethylidene)rhodium;tris(triphenylphosphane)
PubChem CID157050156
Molecular FormulaC55H45OP3Rh
Molecular Weight917.79 g/mol
Exact Mass917.17
IUPAC Namehydrido(oxomethylidene)rhodium;tris(triphenylphosphane)
SMILESO=C=[Rh].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C18H15P.CO.Rh/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;/h3*1-15H;;
InChIKeyIETKMTGYQIVLRF-UHFFFAOYSA-N
XLogP9.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500917.79
LogP ≤ 59.93
H-Bond Donors ≤ 50
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 hydrido(oxomethylidene)rhodium;tris(triphenylphosphane)?
The IUPAC name of hydrido(oxomethylidene)rhodium;tris(triphenylphosphane) (CID 157050156) is hydrido(oxomethylidene)rhodium;tris(triphenylphosphane).
What is the SMILES notation for hydrido(oxomethylidene)rhodium;tris(triphenylphosphane)?
The canonical SMILES for hydrido(oxomethylidene)rhodium;tris(triphenylphosphane) is O=C=[Rh].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of hydrido(oxomethylidene)rhodium;tris(triphenylphosphane)?
The InChIKey is IETKMTGYQIVLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C18H15P.CO.Rh/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;/h3*1-15H;;.
What are the key properties of hydrido(oxomethylidene)rhodium;tris(triphenylphosphane)?
hydrido(oxomethylidene)rhodium;tris(triphenylphosphane) has a molecular weight of 917.79 g/mol, XLogP of 9.93, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydrido(oxomethylidene)rhodium;tris(triphenylphosphane) is sourced from PubChem (CID 157050156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).