CID 58651818

C22H15NSi — CID 58651818

IUPAC—
SMILESc1ccc2c([Si]n3c4ccccc4c4ccccc43)cccc2c1
InChIInChI=1S/C22H15NSi/c1-2-10-17-16(8-1)9-7-15-22(17)24-23-20-13-5-3-11-18(20)19-12-4-6-14-21(19)23/h1-15H
InChIKeyAXCJPUYJORJWNN-UHFFFAOYSA-N
MW321.46 g/mol
LogP4.74
Rot. Bonds2

About CID 58651818

CID 58651818 (PubChem CID 58651818) has the molecular formula C22H15NSi and a molecular weight of 321.46 g/mol.

Molecular Properties

Compound NameCID 58651818
PubChem CID58651818
Molecular FormulaC22H15NSi
Molecular Weight321.46 g/mol
Exact Mass321.10
IUPAC Name—
SMILESc1ccc2c([Si]n3c4ccccc4c4ccccc43)cccc2c1
InChIInChI=1S/C22H15NSi/c1-2-10-17-16(8-1)9-7-15-22(17)24-23-20-13-5-3-11-18(20)19-12-4-6-14-21(19)23/h1-15H
InChIKeyAXCJPUYJORJWNN-UHFFFAOYSA-N
XLogP4.74
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 58651818?
The IUPAC name of CID 58651818 (CID 58651818) is not available.
What is the SMILES notation for CID 58651818?
The canonical SMILES for CID 58651818 is c1ccc2c([Si]n3c4ccccc4c4ccccc43)cccc2c1.
What is the InChIKey of CID 58651818?
The InChIKey is AXCJPUYJORJWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NSi/c1-2-10-17-16(8-1)9-7-15-22(17)24-23-20-13-5-3-11-18(20)19-12-4-6-14-21(19)23/h1-15H.
What are the key properties of CID 58651818?
CID 58651818 has a molecular weight of 321.46 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58651818 is sourced from PubChem (CID 58651818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).