2,2-diphenyl-1,4-di(propan-2-yl)-3H-1,4,2-diazasiline

C21H28N2Si — CID 102306353

IUPAC2,2-diphenyl-1,4-di(propan-2-yl)-3H-1,4,2-diazasiline
SMILESCC(C)N1C=CN(C(C)C)[Si](c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C21H28N2Si/c1-18(2)22-15-16-23(19(3)4)24(17-22,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-16,18-19H,17H2,1-4H3
InChIKeyKTCUFKKXZVEIOM-UHFFFAOYSA-N
MW336.56 g/mol
LogP3.19
Rot. Bonds4

About 2,2-diphenyl-1,4-di(propan-2-yl)-3H-1,4,2-diazasiline

2,2-diphenyl-1,4-di(propan-2-yl)-3H-1,4,2-diazasiline (PubChem CID 102306353) has the molecular formula C21H28N2Si and a molecular weight of 336.56 g/mol. Its IUPAC name is 2,2-diphenyl-1,4-di(propan-2-yl)-3H-1,4,2-diazasiline.

Molecular Properties

Compound Name2,2-diphenyl-1,4-di(propan-2-yl)-3H-1,4,2-diazasiline
PubChem CID102306353
Molecular FormulaC21H28N2Si
Molecular Weight336.56 g/mol
Exact Mass336.20
IUPAC Name2,2-diphenyl-1,4-di(propan-2-yl)-3H-1,4,2-diazasiline
SMILESCC(C)N1C=CN(C(C)C)[Si](c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C21H28N2Si/c1-18(2)22-15-16-23(19(3)4)24(17-22,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-16,18-19H,17H2,1-4H3
InChIKeyKTCUFKKXZVEIOM-UHFFFAOYSA-N
XLogP3.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.56
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2-diphenyl-1,4-di(propan-2-yl)-3H-1,4,2-diazasiline 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 2,2-diphenyl-1,4-di(propan-2-yl)-3H-1,4,2-diazasiline?
The IUPAC name of 2,2-diphenyl-1,4-di(propan-2-yl)-3H-1,4,2-diazasiline (CID 102306353) is 2,2-diphenyl-1,4-di(propan-2-yl)-3H-1,4,2-diazasiline.
What is the SMILES notation for 2,2-diphenyl-1,4-di(propan-2-yl)-3H-1,4,2-diazasiline?
The canonical SMILES for 2,2-diphenyl-1,4-di(propan-2-yl)-3H-1,4,2-diazasiline is CC(C)N1C=CN(C(C)C)[Si](c2ccccc2)(c2ccccc2)C1.
What is the InChIKey of 2,2-diphenyl-1,4-di(propan-2-yl)-3H-1,4,2-diazasiline?
The InChIKey is KTCUFKKXZVEIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2Si/c1-18(2)22-15-16-23(19(3)4)24(17-22,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-16,18-19H,17H2,1-4H3.
What are the key properties of 2,2-diphenyl-1,4-di(propan-2-yl)-3H-1,4,2-diazasiline?
2,2-diphenyl-1,4-di(propan-2-yl)-3H-1,4,2-diazasiline has a molecular weight of 336.56 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-1,4-di(propan-2-yl)-3H-1,4,2-diazasiline is sourced from PubChem (CID 102306353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).