CID 67079487

C23H32N2O2Si2 — CID 67079487

IUPAC—
SMILESCC[Si](CC)N(CCCN1C(=O)c2cc3ccccc3cc2C1=O)[Si](CC)CC
InChIInChI=1S/C23H32N2O2Si2/c1-5-28(6-2)25(29(7-3)8-4)15-11-14-24-22(26)20-16-18-12-9-10-13-19(18)17-21(20)23(24)27/h9-10,12-13,16-17H,5-8,11,14-15H2,1-4H3
InChIKeyJBUXVUDSYUMNLA-UHFFFAOYSA-N
MW424.69 g/mol
LogP5.19
Rot. Bonds10

About CID 67079487

CID 67079487 (PubChem CID 67079487) has the molecular formula C23H32N2O2Si2 and a molecular weight of 424.69 g/mol.

Molecular Properties

Compound NameCID 67079487
PubChem CID67079487
Molecular FormulaC23H32N2O2Si2
Molecular Weight424.69 g/mol
Exact Mass424.20
IUPAC Name—
SMILESCC[Si](CC)N(CCCN1C(=O)c2cc3ccccc3cc2C1=O)[Si](CC)CC
InChIInChI=1S/C23H32N2O2Si2/c1-5-28(6-2)25(29(7-3)8-4)15-11-14-24-22(26)20-16-18-12-9-10-13-19(18)17-21(20)23(24)27/h9-10,12-13,16-17H,5-8,11,14-15H2,1-4H3
InChIKeyJBUXVUDSYUMNLA-UHFFFAOYSA-N
XLogP5.19
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.69
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 67079487?
The IUPAC name of CID 67079487 (CID 67079487) is not available.
What is the SMILES notation for CID 67079487?
The canonical SMILES for CID 67079487 is CC[Si](CC)N(CCCN1C(=O)c2cc3ccccc3cc2C1=O)[Si](CC)CC.
What is the InChIKey of CID 67079487?
The InChIKey is JBUXVUDSYUMNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2Si2/c1-5-28(6-2)25(29(7-3)8-4)15-11-14-24-22(26)20-16-18-12-9-10-13-19(18)17-21(20)23(24)27/h9-10,12-13,16-17H,5-8,11,14-15H2,1-4H3.
What are the key properties of CID 67079487?
CID 67079487 has a molecular weight of 424.69 g/mol, XLogP of 5.19, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67079487 is sourced from PubChem (CID 67079487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).