CID 173341259

C27H22LiSi — CID 173341259

IUPAC—
SMILESC1=CC([Si](C2C=Cc3ccccc32)C2C=Cc3ccccc32)c2ccccc21.[H-].[Li+]
InChIInChI=1S/C27H21Si.Li.H/c1-4-10-22-19(7-1)13-16-25(22)28(26-17-14-20-8-2-5-11-23(20)26)27-18-15-21-9-3-6-12-24(21)27;;/h1-18,25-27H;;/q;+1;-1
InChIKeyKZDZDJPMLVBKHH-UHFFFAOYSA-N
MW381.50 g/mol
LogP3.65
Rot. Bonds3

About CID 173341259

CID 173341259 (PubChem CID 173341259) has the molecular formula C27H22LiSi and a molecular weight of 381.50 g/mol.

Molecular Properties

Compound NameCID 173341259
PubChem CID173341259
Molecular FormulaC27H22LiSi
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC Name—
SMILESC1=CC([Si](C2C=Cc3ccccc32)C2C=Cc3ccccc32)c2ccccc21.[H-].[Li+]
InChIInChI=1S/C27H21Si.Li.H/c1-4-10-22-19(7-1)13-16-25(22)28(26-17-14-20-8-2-5-11-23(20)26)27-18-15-21-9-3-6-12-24(21)27;;/h1-18,25-27H;;/q;+1;-1
InChIKeyKZDZDJPMLVBKHH-UHFFFAOYSA-N
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 173341259?
The IUPAC name of CID 173341259 (CID 173341259) is not available.
What is the SMILES notation for CID 173341259?
The canonical SMILES for CID 173341259 is C1=CC([Si](C2C=Cc3ccccc32)C2C=Cc3ccccc32)c2ccccc21.[H-].[Li+].
What is the InChIKey of CID 173341259?
The InChIKey is KZDZDJPMLVBKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21Si.Li.H/c1-4-10-22-19(7-1)13-16-25(22)28(26-17-14-20-8-2-5-11-23(20)26)27-18-15-21-9-3-6-12-24(21)27;;/h1-18,25-27H;;/q;+1;-1.
What are the key properties of CID 173341259?
CID 173341259 has a molecular weight of 381.50 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173341259 is sourced from PubChem (CID 173341259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).