CID 90367871

C25H24NO3Si — CID 90367871

IUPAC—
SMILESC[Si](C)C#Cc1cc(OCc2ccccc2)c(C(=O)OCc2ccccc2)cc1N
InChIInChI=1S/C25H24NO3Si/c1-30(2)14-13-21-15-24(28-17-19-9-5-3-6-10-19)22(16-23(21)26)25(27)29-18-20-11-7-4-8-12-20/h3-12,15-16H,17-18,26H2,1-2H3
InChIKeyDASCEURPQXDCHN-UHFFFAOYSA-N
MW414.56 g/mol
LogP4.85
Rot. Bonds6

About CID 90367871

CID 90367871 (PubChem CID 90367871) has the molecular formula C25H24NO3Si and a molecular weight of 414.56 g/mol.

Molecular Properties

Compound NameCID 90367871
PubChem CID90367871
Molecular FormulaC25H24NO3Si
Molecular Weight414.56 g/mol
Exact Mass414.15
IUPAC Name—
SMILESC[Si](C)C#Cc1cc(OCc2ccccc2)c(C(=O)OCc2ccccc2)cc1N
InChIInChI=1S/C25H24NO3Si/c1-30(2)14-13-21-15-24(28-17-19-9-5-3-6-10-19)22(16-23(21)26)25(27)29-18-20-11-7-4-8-12-20/h3-12,15-16H,17-18,26H2,1-2H3
InChIKeyDASCEURPQXDCHN-UHFFFAOYSA-N
XLogP4.85
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.56
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 90367871?
The IUPAC name of CID 90367871 (CID 90367871) is not available.
What is the SMILES notation for CID 90367871?
The canonical SMILES for CID 90367871 is C[Si](C)C#Cc1cc(OCc2ccccc2)c(C(=O)OCc2ccccc2)cc1N.
What is the InChIKey of CID 90367871?
The InChIKey is DASCEURPQXDCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24NO3Si/c1-30(2)14-13-21-15-24(28-17-19-9-5-3-6-10-19)22(16-23(21)26)25(27)29-18-20-11-7-4-8-12-20/h3-12,15-16H,17-18,26H2,1-2H3.
What are the key properties of CID 90367871?
CID 90367871 has a molecular weight of 414.56 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90367871 is sourced from PubChem (CID 90367871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).