trichloro-[4-[2-(2-methyl-1H-inden-1-yl)-3H-inden-5-yl]butyl]silane

C23H23Cl3Si — CID 173317726

IUPACtrichloro-[4-[2-(2-methyl-1H-inden-1-yl)-3H-inden-5-yl]butyl]silane
SMILESCC1=Cc2ccccc2C1C1=Cc2ccc(CCCC[Si](Cl)(Cl)Cl)cc2C1
InChIInChI=1S/C23H23Cl3Si/c1-16-12-19-7-2-3-8-22(19)23(16)21-14-18-10-9-17(13-20(18)15-21)6-4-5-11-27(24,25)26/h2-3,7-10,12-14,23H,4-6,11,15H2,1H3
InChIKeyBGGGDOMNLBXIHM-UHFFFAOYSA-N
MW433.88 g/mol
LogP7.80
Rot. Bonds6

About trichloro-[4-[2-(2-methyl-1H-inden-1-yl)-3H-inden-5-yl]butyl]silane

trichloro-[4-[2-(2-methyl-1H-inden-1-yl)-3H-inden-5-yl]butyl]silane (PubChem CID 173317726) has the molecular formula C23H23Cl3Si and a molecular weight of 433.88 g/mol. Its IUPAC name is trichloro-[4-[2-(2-methyl-1H-inden-1-yl)-3H-inden-5-yl]butyl]silane.

Molecular Properties

Compound Nametrichloro-[4-[2-(2-methyl-1H-inden-1-yl)-3H-inden-5-yl]butyl]silane
PubChem CID173317726
Molecular FormulaC23H23Cl3Si
Molecular Weight433.88 g/mol
Exact Mass432.06
IUPAC Nametrichloro-[4-[2-(2-methyl-1H-inden-1-yl)-3H-inden-5-yl]butyl]silane
SMILESCC1=Cc2ccccc2C1C1=Cc2ccc(CCCC[Si](Cl)(Cl)Cl)cc2C1
InChIInChI=1S/C23H23Cl3Si/c1-16-12-19-7-2-3-8-22(19)23(16)21-14-18-10-9-17(13-20(18)15-21)6-4-5-11-27(24,25)26/h2-3,7-10,12-14,23H,4-6,11,15H2,1H3
InChIKeyBGGGDOMNLBXIHM-UHFFFAOYSA-N
XLogP7.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.88
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 trichloro-[4-[2-(2-methyl-1H-inden-1-yl)-3H-inden-5-yl]butyl]silane?
The IUPAC name of trichloro-[4-[2-(2-methyl-1H-inden-1-yl)-3H-inden-5-yl]butyl]silane (CID 173317726) is trichloro-[4-[2-(2-methyl-1H-inden-1-yl)-3H-inden-5-yl]butyl]silane.
What is the SMILES notation for trichloro-[4-[2-(2-methyl-1H-inden-1-yl)-3H-inden-5-yl]butyl]silane?
The canonical SMILES for trichloro-[4-[2-(2-methyl-1H-inden-1-yl)-3H-inden-5-yl]butyl]silane is CC1=Cc2ccccc2C1C1=Cc2ccc(CCCC[Si](Cl)(Cl)Cl)cc2C1.
What is the InChIKey of trichloro-[4-[2-(2-methyl-1H-inden-1-yl)-3H-inden-5-yl]butyl]silane?
The InChIKey is BGGGDOMNLBXIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl3Si/c1-16-12-19-7-2-3-8-22(19)23(16)21-14-18-10-9-17(13-20(18)15-21)6-4-5-11-27(24,25)26/h2-3,7-10,12-14,23H,4-6,11,15H2,1H3.
What are the key properties of trichloro-[4-[2-(2-methyl-1H-inden-1-yl)-3H-inden-5-yl]butyl]silane?
trichloro-[4-[2-(2-methyl-1H-inden-1-yl)-3H-inden-5-yl]butyl]silane has a molecular weight of 433.88 g/mol, XLogP of 7.80, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro-[4-[2-(2-methyl-1H-inden-1-yl)-3H-inden-5-yl]butyl]silane is sourced from PubChem (CID 173317726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).