CID 11082257

C24H23NOPRe- — CID 11082257

IUPAC—
SMILES[CH3-].[CH]1[CH][CH][CH][CH]1.[N]=O.[Re].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C5H5.CH3.NO.Re/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-5-3-1;;1-2;/h1-15H;1-5H;1H3;;/q;;-1;;
InChIKeyVTYCXMOCBYXINM-UHFFFAOYSA-N
MW558.64 g/mol
LogP4.47
Rot. Bonds3

About CID 11082257

CID 11082257 (PubChem CID 11082257) has the molecular formula C24H23NOPRe- and a molecular weight of 558.64 g/mol.

Molecular Properties

Compound NameCID 11082257
PubChem CID11082257
Molecular FormulaC24H23NOPRe-
Molecular Weight558.64 g/mol
Exact Mass559.11
IUPAC Name—
SMILES[CH3-].[CH]1[CH][CH][CH][CH]1.[N]=O.[Re].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C5H5.CH3.NO.Re/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-5-3-1;;1-2;/h1-15H;1-5H;1H3;;/q;;-1;;
InChIKeyVTYCXMOCBYXINM-UHFFFAOYSA-N
XLogP4.47
TPSA39.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.64
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

carbanide;platinum(2+);bis(triphenylphosphane)
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triphenylphosphane
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rhenium;bis(triphenylphosphane);trichloride;hydrate
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CID 10963428
CID 10963428
CID 11050480
CID 11050480
CID 87948921
CID 87948921
pentakis(palladium);hexadecakis(triphenylphosphane)
CID 173116735
triphenylphosphane;yttrium
CID 139917776
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
tris(triphenylphosphane);trihydrochloride
CID 173282987
palladium;bis(triphenylphosphane)
CID 10122028
tris(triphenylphosphane);hydrobromide
CID 172722268

Frequently Asked Questions

What is the IUPAC name of CID 11082257?
The IUPAC name of CID 11082257 (CID 11082257) is not available.
What is the SMILES notation for CID 11082257?
The canonical SMILES for CID 11082257 is [CH3-].[CH]1[CH][CH][CH][CH]1.[N]=O.[Re].c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of CID 11082257?
The InChIKey is VTYCXMOCBYXINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P.C5H5.CH3.NO.Re/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-5-3-1;;1-2;/h1-15H;1-5H;1H3;;/q;;-1;;.
What are the key properties of CID 11082257?
CID 11082257 has a molecular weight of 558.64 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11082257 is sourced from PubChem (CID 11082257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).