CID 158163106

C40H46O2P2Rh2Si2+2 — CID 158163106

IUPAC—
SMILES[CH-]=O.[CH-]=O.[CH3-].[CH3-].[Rh+2].[Rh+2].[SiH3].[SiH3].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.2CHO.2CH3.2Rh.2H3Si/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2;;;;;;/h2*1-15H;2*1H;2*1H3;;;2*1H3/q;;4*-1;2*+2;;/p+2
InChIKeyBQCGPEUOQYAFMB-UHFFFAOYSA-P
MW882.74 g/mol
LogP4.33
Rot. Bonds6

About CID 158163106

CID 158163106 (PubChem CID 158163106) has the molecular formula C40H46O2P2Rh2Si2+2 and a molecular weight of 882.74 g/mol.

Molecular Properties

Compound NameCID 158163106
PubChem CID158163106
Molecular FormulaC40H46O2P2Rh2Si2+2
Molecular Weight882.74 g/mol
Exact Mass882.06
IUPAC Name—
SMILES[CH-]=O.[CH-]=O.[CH3-].[CH3-].[Rh+2].[Rh+2].[SiH3].[SiH3].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.2CHO.2CH3.2Rh.2H3Si/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2;;;;;;/h2*1-15H;2*1H;2*1H3;;;2*1H3/q;;4*-1;2*+2;;/p+2
InChIKeyBQCGPEUOQYAFMB-UHFFFAOYSA-P
XLogP4.33
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500882.74
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'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 CID 158163106?
The IUPAC name of CID 158163106 (CID 158163106) is not available.
What is the SMILES notation for CID 158163106?
The canonical SMILES for CID 158163106 is [CH-]=O.[CH-]=O.[CH3-].[CH3-].[Rh+2].[Rh+2].[SiH3].[SiH3].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of CID 158163106?
The InChIKey is BQCGPEUOQYAFMB-UHFFFAOYSA-P. The full InChI is InChI=1S/2C18H15P.2CHO.2CH3.2Rh.2H3Si/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2;;;;;;/h2*1-15H;2*1H;2*1H3;;;2*1H3/q;;4*-1;2*+2;;/p+2.
What are the key properties of CID 158163106?
CID 158163106 has a molecular weight of 882.74 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158163106 is sourced from PubChem (CID 158163106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).