chloro-bis(2-methyl-1H-inden-1-yl)-phenylsilane

C26H23ClSi — CID 54510679

IUPACchloro-bis(2-methyl-1H-inden-1-yl)-phenylsilane
SMILESCC1=Cc2ccccc2C1[Si](Cl)(c1ccccc1)C1C(C)=Cc2ccccc21
InChIInChI=1S/C26H23ClSi/c1-18-16-20-10-6-8-14-23(20)25(18)28(27,22-12-4-3-5-13-22)26-19(2)17-21-11-7-9-15-24(21)26/h3-17,25-26H,1-2H3
InChIKeyYIWWWLNZEOEARY-UHFFFAOYSA-N
MW399.01 g/mol
LogP6.56
Rot. Bonds3

About chloro-bis(2-methyl-1H-inden-1-yl)-phenylsilane

chloro-bis(2-methyl-1H-inden-1-yl)-phenylsilane (PubChem CID 54510679) has the molecular formula C26H23ClSi and a molecular weight of 399.01 g/mol. Its IUPAC name is chloro-bis(2-methyl-1H-inden-1-yl)-phenylsilane.

Molecular Properties

Compound Namechloro-bis(2-methyl-1H-inden-1-yl)-phenylsilane
PubChem CID54510679
Molecular FormulaC26H23ClSi
Molecular Weight399.01 g/mol
Exact Mass398.13
IUPAC Namechloro-bis(2-methyl-1H-inden-1-yl)-phenylsilane
SMILESCC1=Cc2ccccc2C1[Si](Cl)(c1ccccc1)C1C(C)=Cc2ccccc21
InChIInChI=1S/C26H23ClSi/c1-18-16-20-10-6-8-14-23(20)25(18)28(27,22-12-4-3-5-13-22)26-19(2)17-21-11-7-9-15-24(21)26/h3-17,25-26H,1-2H3
InChIKeyYIWWWLNZEOEARY-UHFFFAOYSA-N
XLogP6.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.01
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro-bis(2-methyl-1H-inden-1-yl)-phenylsilane?
The IUPAC name of chloro-bis(2-methyl-1H-inden-1-yl)-phenylsilane (CID 54510679) is chloro-bis(2-methyl-1H-inden-1-yl)-phenylsilane.
What is the SMILES notation for chloro-bis(2-methyl-1H-inden-1-yl)-phenylsilane?
The canonical SMILES for chloro-bis(2-methyl-1H-inden-1-yl)-phenylsilane is CC1=Cc2ccccc2C1[Si](Cl)(c1ccccc1)C1C(C)=Cc2ccccc21.
What is the InChIKey of chloro-bis(2-methyl-1H-inden-1-yl)-phenylsilane?
The InChIKey is YIWWWLNZEOEARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClSi/c1-18-16-20-10-6-8-14-23(20)25(18)28(27,22-12-4-3-5-13-22)26-19(2)17-21-11-7-9-15-24(21)26/h3-17,25-26H,1-2H3.
What are the key properties of chloro-bis(2-methyl-1H-inden-1-yl)-phenylsilane?
chloro-bis(2-methyl-1H-inden-1-yl)-phenylsilane has a molecular weight of 399.01 g/mol, XLogP of 6.56, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-bis(2-methyl-1H-inden-1-yl)-phenylsilane is sourced from PubChem (CID 54510679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).