CID 177481752

C26H18FN2Si — CID 177481752

IUPAC—
SMILESFc1ccc([Si](c2ccccc2)c2ccccc2)c2nc(-c3ccccn3)ccc12
InChIInChI=1S/C26H18FN2Si/c27-22-15-17-25(26-21(22)14-16-24(29-26)23-13-7-8-18-28-23)30(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-18H
InChIKeyWGYCEYXYNHIIOR-UHFFFAOYSA-N
MW405.53 g/mol
LogP3.95
Rot. Bonds4

About CID 177481752

CID 177481752 (PubChem CID 177481752) has the molecular formula C26H18FN2Si and a molecular weight of 405.53 g/mol.

Molecular Properties

Compound NameCID 177481752
PubChem CID177481752
Molecular FormulaC26H18FN2Si
Molecular Weight405.53 g/mol
Exact Mass405.12
IUPAC Name—
SMILESFc1ccc([Si](c2ccccc2)c2ccccc2)c2nc(-c3ccccn3)ccc12
InChIInChI=1S/C26H18FN2Si/c27-22-15-17-25(26-21(22)14-16-24(29-26)23-13-7-8-18-28-23)30(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-18H
InChIKeyWGYCEYXYNHIIOR-UHFFFAOYSA-N
XLogP3.95
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.53
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 177481752?
The IUPAC name of CID 177481752 (CID 177481752) is not available.
What is the SMILES notation for CID 177481752?
The canonical SMILES for CID 177481752 is Fc1ccc([Si](c2ccccc2)c2ccccc2)c2nc(-c3ccccn3)ccc12.
What is the InChIKey of CID 177481752?
The InChIKey is WGYCEYXYNHIIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18FN2Si/c27-22-15-17-25(26-21(22)14-16-24(29-26)23-13-7-8-18-28-23)30(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-18H.
What are the key properties of CID 177481752?
CID 177481752 has a molecular weight of 405.53 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177481752 is sourced from PubChem (CID 177481752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).