bis[(2-ethyl-4-phenyl-5-propyl-1H-inden-1-yl)methyl]silane

C42H48Si — CID 173236498

IUPACbis[(2-ethyl-4-phenyl-5-propyl-1H-inden-1-yl)methyl]silane
SMILESCCCc1ccc2c(c1-c1ccccc1)C=C(CC)C2C[SiH2]CC1C(CC)=Cc2c1ccc(CCC)c2-c1ccccc1
InChIInChI=1S/C42H48Si/c1-5-15-31-21-23-35-37(41(31)33-17-11-9-12-18-33)25-29(7-3)39(35)27-43-28-40-30(8-4)26-38-36(40)24-22-32(16-6-2)42(38)34-19-13-10-14-20-34/h9-14,17-26,39-40H,5-8,15-16,27-28,43H2,1-4H3
InChIKeyBLSAGDLEDZPXFN-UHFFFAOYSA-N
MW580.93 g/mol
LogP11.41
Rot. Bonds12

About bis[(2-ethyl-4-phenyl-5-propyl-1H-inden-1-yl)methyl]silane

bis[(2-ethyl-4-phenyl-5-propyl-1H-inden-1-yl)methyl]silane (PubChem CID 173236498) has the molecular formula C42H48Si and a molecular weight of 580.93 g/mol. Its IUPAC name is bis[(2-ethyl-4-phenyl-5-propyl-1H-inden-1-yl)methyl]silane.

Molecular Properties

Compound Namebis[(2-ethyl-4-phenyl-5-propyl-1H-inden-1-yl)methyl]silane
PubChem CID173236498
Molecular FormulaC42H48Si
Molecular Weight580.93 g/mol
Exact Mass580.35
IUPAC Namebis[(2-ethyl-4-phenyl-5-propyl-1H-inden-1-yl)methyl]silane
SMILESCCCc1ccc2c(c1-c1ccccc1)C=C(CC)C2C[SiH2]CC1C(CC)=Cc2c1ccc(CCC)c2-c1ccccc1
InChIInChI=1S/C42H48Si/c1-5-15-31-21-23-35-37(41(31)33-17-11-9-12-18-33)25-29(7-3)39(35)27-43-28-40-30(8-4)26-38-36(40)24-22-32(16-6-2)42(38)34-19-13-10-14-20-34/h9-14,17-26,39-40H,5-8,15-16,27-28,43H2,1-4H3
InChIKeyBLSAGDLEDZPXFN-UHFFFAOYSA-N
XLogP11.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.93
LogP ≤ 511.41
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 bis[(2-ethyl-4-phenyl-5-propyl-1H-inden-1-yl)methyl]silane?
The IUPAC name of bis[(2-ethyl-4-phenyl-5-propyl-1H-inden-1-yl)methyl]silane (CID 173236498) is bis[(2-ethyl-4-phenyl-5-propyl-1H-inden-1-yl)methyl]silane.
What is the SMILES notation for bis[(2-ethyl-4-phenyl-5-propyl-1H-inden-1-yl)methyl]silane?
The canonical SMILES for bis[(2-ethyl-4-phenyl-5-propyl-1H-inden-1-yl)methyl]silane is CCCc1ccc2c(c1-c1ccccc1)C=C(CC)C2C[SiH2]CC1C(CC)=Cc2c1ccc(CCC)c2-c1ccccc1.
What is the InChIKey of bis[(2-ethyl-4-phenyl-5-propyl-1H-inden-1-yl)methyl]silane?
The InChIKey is BLSAGDLEDZPXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H48Si/c1-5-15-31-21-23-35-37(41(31)33-17-11-9-12-18-33)25-29(7-3)39(35)27-43-28-40-30(8-4)26-38-36(40)24-22-32(16-6-2)42(38)34-19-13-10-14-20-34/h9-14,17-26,39-40H,5-8,15-16,27-28,43H2,1-4H3.
What are the key properties of bis[(2-ethyl-4-phenyl-5-propyl-1H-inden-1-yl)methyl]silane?
bis[(2-ethyl-4-phenyl-5-propyl-1H-inden-1-yl)methyl]silane has a molecular weight of 580.93 g/mol, XLogP of 11.41, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2-ethyl-4-phenyl-5-propyl-1H-inden-1-yl)methyl]silane is sourced from PubChem (CID 173236498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).