CID 21287715

C22H22NSi — CID 21287715

IUPAC—
SMILESCC(c1ccccc1[Si])N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H22NSi/c1-18(21-14-8-9-15-22(21)24)23(16-19-10-4-2-5-11-19)17-20-12-6-3-7-13-20/h2-15,18H,16-17H2,1H3
InChIKeyYDKHHFNVIKWXLW-UHFFFAOYSA-N
MW328.51 g/mol
LogP4.24
Rot. Bonds6

About CID 21287715

CID 21287715 (PubChem CID 21287715) has the molecular formula C22H22NSi and a molecular weight of 328.51 g/mol.

Molecular Properties

Compound NameCID 21287715
PubChem CID21287715
Molecular FormulaC22H22NSi
Molecular Weight328.51 g/mol
Exact Mass328.15
IUPAC Name—
SMILESCC(c1ccccc1[Si])N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H22NSi/c1-18(21-14-8-9-15-22(21)24)23(16-19-10-4-2-5-11-19)17-20-12-6-3-7-13-20/h2-15,18H,16-17H2,1H3
InChIKeyYDKHHFNVIKWXLW-UHFFFAOYSA-N
XLogP4.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.51
LogP ≤ 54.24
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 21287715?
The IUPAC name of CID 21287715 (CID 21287715) is not available.
What is the SMILES notation for CID 21287715?
The canonical SMILES for CID 21287715 is CC(c1ccccc1[Si])N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of CID 21287715?
The InChIKey is YDKHHFNVIKWXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22NSi/c1-18(21-14-8-9-15-22(21)24)23(16-19-10-4-2-5-11-19)17-20-12-6-3-7-13-20/h2-15,18H,16-17H2,1H3.
What are the key properties of CID 21287715?
CID 21287715 has a molecular weight of 328.51 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21287715 is sourced from PubChem (CID 21287715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).