CID 91206846

C22H22NSi — CID 91206846

IUPAC—
SMILESCC1=CC2=c3c(-c4ccccc4)c([Si](C)C)c(C)cc3=NC2=C1C
InChIInChI=1S/C22H22NSi/c1-13-11-17-20-18(23-21(17)15(13)3)12-14(2)22(24(4)5)19(20)16-9-7-6-8-10-16/h6-12H,1-5H3
InChIKeyHBWYWLDYWGKHKM-UHFFFAOYSA-N
MW328.51 g/mol
LogP3.64
Rot. Bonds2

About CID 91206846

CID 91206846 (PubChem CID 91206846) has the molecular formula C22H22NSi and a molecular weight of 328.51 g/mol.

Molecular Properties

Compound NameCID 91206846
PubChem CID91206846
Molecular FormulaC22H22NSi
Molecular Weight328.51 g/mol
Exact Mass328.15
IUPAC Name—
SMILESCC1=CC2=c3c(-c4ccccc4)c([Si](C)C)c(C)cc3=NC2=C1C
InChIInChI=1S/C22H22NSi/c1-13-11-17-20-18(23-21(17)15(13)3)12-14(2)22(24(4)5)19(20)16-9-7-6-8-10-16/h6-12H,1-5H3
InChIKeyHBWYWLDYWGKHKM-UHFFFAOYSA-N
XLogP3.64
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.51
LogP ≤ 53.64
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 91206846?
The IUPAC name of CID 91206846 (CID 91206846) is not available.
What is the SMILES notation for CID 91206846?
The canonical SMILES for CID 91206846 is CC1=CC2=c3c(-c4ccccc4)c([Si](C)C)c(C)cc3=NC2=C1C.
What is the InChIKey of CID 91206846?
The InChIKey is HBWYWLDYWGKHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22NSi/c1-13-11-17-20-18(23-21(17)15(13)3)12-14(2)22(24(4)5)19(20)16-9-7-6-8-10-16/h6-12H,1-5H3.
What are the key properties of CID 91206846?
CID 91206846 has a molecular weight of 328.51 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 91206846 is sourced from PubChem (CID 91206846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).