CID 70484206

C33H36N3O2SSi — CID 70484206

IUPAC—
SMILESC[Si](C)C1(C(O)c2cccnn2)C(=O)N(C(C)(C)C)C1SC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H36N3O2SSi/c1-31(2,3)36-29(38)33(40(4)5,28(37)27-22-15-23-34-35-27)30(36)39-32(24-16-9-6-10-17-24,25-18-11-7-12-19-25)26-20-13-8-14-21-26/h6-23,28,30,37H,1-5H3
InChIKeyNWVZBLIEMSZSPG-UHFFFAOYSA-N
MW566.82 g/mol
LogP6.70
Rot. Bonds8

About CID 70484206

CID 70484206 (PubChem CID 70484206) has the molecular formula C33H36N3O2SSi and a molecular weight of 566.82 g/mol.

Molecular Properties

Compound NameCID 70484206
PubChem CID70484206
Molecular FormulaC33H36N3O2SSi
Molecular Weight566.82 g/mol
Exact Mass566.23
IUPAC Name—
SMILESC[Si](C)C1(C(O)c2cccnn2)C(=O)N(C(C)(C)C)C1SC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H36N3O2SSi/c1-31(2,3)36-29(38)33(40(4)5,28(37)27-22-15-23-34-35-27)30(36)39-32(24-16-9-6-10-17-24,25-18-11-7-12-19-25)26-20-13-8-14-21-26/h6-23,28,30,37H,1-5H3
InChIKeyNWVZBLIEMSZSPG-UHFFFAOYSA-N
XLogP6.70
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.82
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 70484206?
The IUPAC name of CID 70484206 (CID 70484206) is not available.
What is the SMILES notation for CID 70484206?
The canonical SMILES for CID 70484206 is C[Si](C)C1(C(O)c2cccnn2)C(=O)N(C(C)(C)C)C1SC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 70484206?
The InChIKey is NWVZBLIEMSZSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N3O2SSi/c1-31(2,3)36-29(38)33(40(4)5,28(37)27-22-15-23-34-35-27)30(36)39-32(24-16-9-6-10-17-24,25-18-11-7-12-19-25)26-20-13-8-14-21-26/h6-23,28,30,37H,1-5H3.
What are the key properties of CID 70484206?
CID 70484206 has a molecular weight of 566.82 g/mol, XLogP of 6.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70484206 is sourced from PubChem (CID 70484206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).