CID 87935972

C22H30NO2Si2Zr- — CID 87935972

IUPAC—
SMILESCO[Si]1(C)c2c(NC(C)(C)C)c(O[Si](C)(C)C)c3c([cH-]c4ccccc43)c21.[Zr]
InChIInChI=1S/C22H30NO2Si2.Zr/c1-22(2,3)23-18-19(25-26(5,6)7)17-15-12-10-9-11-14(15)13-16(17)20-21(18)27(20,8)24-4;/h9-13,23H,1-8H3;/q-1;
InChIKeyGQLLHNYOSSYDFS-UHFFFAOYSA-N
MW487.88 g/mol
LogP4.78
Rot. Bonds4

About CID 87935972

CID 87935972 (PubChem CID 87935972) has the molecular formula C22H30NO2Si2Zr- and a molecular weight of 487.88 g/mol.

Molecular Properties

Compound NameCID 87935972
PubChem CID87935972
Molecular FormulaC22H30NO2Si2Zr-
Molecular Weight487.88 g/mol
Exact Mass486.09
IUPAC Name—
SMILESCO[Si]1(C)c2c(NC(C)(C)C)c(O[Si](C)(C)C)c3c([cH-]c4ccccc43)c21.[Zr]
InChIInChI=1S/C22H30NO2Si2.Zr/c1-22(2,3)23-18-19(25-26(5,6)7)17-15-12-10-9-11-14(15)13-16(17)20-21(18)27(20,8)24-4;/h9-13,23H,1-8H3;/q-1;
InChIKeyGQLLHNYOSSYDFS-UHFFFAOYSA-N
XLogP4.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.88
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 87935972 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 87935972?
The IUPAC name of CID 87935972 (CID 87935972) is not available.
What is the SMILES notation for CID 87935972?
The canonical SMILES for CID 87935972 is CO[Si]1(C)c2c(NC(C)(C)C)c(O[Si](C)(C)C)c3c([cH-]c4ccccc43)c21.[Zr].
What is the InChIKey of CID 87935972?
The InChIKey is GQLLHNYOSSYDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30NO2Si2.Zr/c1-22(2,3)23-18-19(25-26(5,6)7)17-15-12-10-9-11-14(15)13-16(17)20-21(18)27(20,8)24-4;/h9-13,23H,1-8H3;/q-1;.
What are the key properties of CID 87935972?
CID 87935972 has a molecular weight of 487.88 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87935972 is sourced from PubChem (CID 87935972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).