CID 177491697

C20H28ClN2PSi+ — CID 177491697

IUPAC—
SMILESCC(C)(C)N1[Si](Cl)N(C(C)(C)C)[P+]1(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H28ClN2PSi/c1-19(2,3)22-24(17-13-9-7-10-14-17,18-15-11-8-12-16-18)23(25(22)21)20(4,5)6/h7-16H,1-6H3/q+1
InChIKeyCAFGFHTWFSBHMN-UHFFFAOYSA-N
MW390.97 g/mol
LogP4.92
Rot. Bonds2

About CID 177491697

CID 177491697 (PubChem CID 177491697) has the molecular formula C20H28ClN2PSi+ and a molecular weight of 390.97 g/mol.

Molecular Properties

Compound NameCID 177491697
PubChem CID177491697
Molecular FormulaC20H28ClN2PSi+
Molecular Weight390.97 g/mol
Exact Mass390.14
IUPAC Name—
SMILESCC(C)(C)N1[Si](Cl)N(C(C)(C)C)[P+]1(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H28ClN2PSi/c1-19(2,3)22-24(17-13-9-7-10-14-17,18-15-11-8-12-16-18)23(25(22)21)20(4,5)6/h7-16H,1-6H3/q+1
InChIKeyCAFGFHTWFSBHMN-UHFFFAOYSA-N
XLogP4.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.97
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 177491697?
The IUPAC name of CID 177491697 (CID 177491697) is not available.
What is the SMILES notation for CID 177491697?
The canonical SMILES for CID 177491697 is CC(C)(C)N1[Si](Cl)N(C(C)(C)C)[P+]1(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 177491697?
The InChIKey is CAFGFHTWFSBHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN2PSi/c1-19(2,3)22-24(17-13-9-7-10-14-17,18-15-11-8-12-16-18)23(25(22)21)20(4,5)6/h7-16H,1-6H3/q+1.
What are the key properties of CID 177491697?
CID 177491697 has a molecular weight of 390.97 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177491697 is sourced from PubChem (CID 177491697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).