CID 119080655

C31H41N2OSi2 — CID 119080655

IUPAC—
SMILESCC[Si](c1cccc2cccc(N(C)C)c12)[Si@](CC)(OC(C)C)c1cccc2cccc(N(C)C)c12
InChIInChI=1S/C31H41N2OSi2/c1-9-35(28-21-13-17-24-15-11-19-26(30(24)28)32(5)6)36(10-2,34-23(3)4)29-22-14-18-25-16-12-20-27(31(25)29)33(7)8/h11-23H,9-10H2,1-8H3/t36-/m0/s1
InChIKeyKYKHKROLWHEPFR-BHVANESWSA-N
MW513.85 g/mol
LogP6.22
Rot. Bonds9

About CID 119080655

CID 119080655 (PubChem CID 119080655) has the molecular formula C31H41N2OSi2 and a molecular weight of 513.85 g/mol.

Molecular Properties

Compound NameCID 119080655
PubChem CID119080655
Molecular FormulaC31H41N2OSi2
Molecular Weight513.85 g/mol
Exact Mass513.28
IUPAC Name—
SMILESCC[Si](c1cccc2cccc(N(C)C)c12)[Si@](CC)(OC(C)C)c1cccc2cccc(N(C)C)c12
InChIInChI=1S/C31H41N2OSi2/c1-9-35(28-21-13-17-24-15-11-19-26(30(24)28)32(5)6)36(10-2,34-23(3)4)29-22-14-18-25-16-12-20-27(31(25)29)33(7)8/h11-23H,9-10H2,1-8H3/t36-/m0/s1
InChIKeyKYKHKROLWHEPFR-BHVANESWSA-N
XLogP6.22
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.85
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 119080655 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 119080655?
The IUPAC name of CID 119080655 (CID 119080655) is not available.
What is the SMILES notation for CID 119080655?
The canonical SMILES for CID 119080655 is CC[Si](c1cccc2cccc(N(C)C)c12)[Si@](CC)(OC(C)C)c1cccc2cccc(N(C)C)c12.
What is the InChIKey of CID 119080655?
The InChIKey is KYKHKROLWHEPFR-BHVANESWSA-N. The full InChI is InChI=1S/C31H41N2OSi2/c1-9-35(28-21-13-17-24-15-11-19-26(30(24)28)32(5)6)36(10-2,34-23(3)4)29-22-14-18-25-16-12-20-27(31(25)29)33(7)8/h11-23H,9-10H2,1-8H3/t36-/m0/s1.
What are the key properties of CID 119080655?
CID 119080655 has a molecular weight of 513.85 g/mol, XLogP of 6.22, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 119080655 is sourced from PubChem (CID 119080655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).