CID 87328485

C24H29Cl2NSiTi-4 — CID 87328485

IUPAC—
SMILESCC(C)(C)[NH-].Cl.Cl.[CH3-].[Si]=[Ti].[c-]1ccccc1.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C6H5.C4H10N.CH3.2ClH.Si.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-6-5-3-1;1-4(2,3)5;;;;;/h1-9H;1-5H;5H,1-3H3;1H3;2*1H;;/q4*-1;;;;
InChIKeyWCFOOXLWQUXGCY-UHFFFAOYSA-N
MW478.36 g/mol
LogP7.95
Rot. Bonds

About CID 87328485

CID 87328485 (PubChem CID 87328485) has the molecular formula C24H29Cl2NSiTi-4 and a molecular weight of 478.36 g/mol.

Molecular Properties

Compound NameCID 87328485
PubChem CID87328485
Molecular FormulaC24H29Cl2NSiTi-4
Molecular Weight478.36 g/mol
Exact Mass477.09
IUPAC Name—
SMILESCC(C)(C)[NH-].Cl.Cl.[CH3-].[Si]=[Ti].[c-]1ccccc1.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C6H5.C4H10N.CH3.2ClH.Si.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-6-5-3-1;1-4(2,3)5;;;;;/h1-9H;1-5H;5H,1-3H3;1H3;2*1H;;/q4*-1;;;;
InChIKeyWCFOOXLWQUXGCY-UHFFFAOYSA-N
XLogP7.95
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.36
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 87328485?
The IUPAC name of CID 87328485 (CID 87328485) is not available.
What is the SMILES notation for CID 87328485?
The canonical SMILES for CID 87328485 is CC(C)(C)[NH-].Cl.Cl.[CH3-].[Si]=[Ti].[c-]1ccccc1.c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of CID 87328485?
The InChIKey is WCFOOXLWQUXGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9.C6H5.C4H10N.CH3.2ClH.Si.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-6-5-3-1;1-4(2,3)5;;;;;/h1-9H;1-5H;5H,1-3H3;1H3;2*1H;;/q4*-1;;;;.
What are the key properties of CID 87328485?
CID 87328485 has a molecular weight of 478.36 g/mol, XLogP of 7.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87328485 is sourced from PubChem (CID 87328485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).