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

C48H44Si — CID 173236715

IUPACbis[(5-ethyl-2,4-diphenyl-1H-inden-1-yl)methyl]silane
SMILESCCc1ccc2c(c1-c1ccccc1)C=C(c1ccccc1)C2C[SiH2]CC1C(c2ccccc2)=Cc2c1ccc(CC)c2-c1ccccc1
InChIInChI=1S/C48H44Si/c1-3-33-25-27-39-43(47(33)37-21-13-7-14-22-37)29-41(35-17-9-5-10-18-35)45(39)31-49-32-46-40-28-26-34(4-2)48(38-23-15-8-16-24-38)44(40)30-42(46)36-19-11-6-12-20-36/h5-30,45-46H,3-4,31-32,49H2,1-2H3
InChIKeyPHAQERYQDCKZMQ-UHFFFAOYSA-N
MW648.97 g/mol
LogP12.13
Rot. Bonds10

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

bis[(5-ethyl-2,4-diphenyl-1H-inden-1-yl)methyl]silane (PubChem CID 173236715) has the molecular formula C48H44Si and a molecular weight of 648.97 g/mol. Its IUPAC name is bis[(5-ethyl-2,4-diphenyl-1H-inden-1-yl)methyl]silane.

Molecular Properties

Compound Namebis[(5-ethyl-2,4-diphenyl-1H-inden-1-yl)methyl]silane
PubChem CID173236715
Molecular FormulaC48H44Si
Molecular Weight648.97 g/mol
Exact Mass648.32
IUPAC Namebis[(5-ethyl-2,4-diphenyl-1H-inden-1-yl)methyl]silane
SMILESCCc1ccc2c(c1-c1ccccc1)C=C(c1ccccc1)C2C[SiH2]CC1C(c2ccccc2)=Cc2c1ccc(CC)c2-c1ccccc1
InChIInChI=1S/C48H44Si/c1-3-33-25-27-39-43(47(33)37-21-13-7-14-22-37)29-41(35-17-9-5-10-18-35)45(39)31-49-32-46-40-28-26-34(4-2)48(38-23-15-8-16-24-38)44(40)30-42(46)36-19-11-6-12-20-36/h5-30,45-46H,3-4,31-32,49H2,1-2H3
InChIKeyPHAQERYQDCKZMQ-UHFFFAOYSA-N
XLogP12.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.97
LogP ≤ 512.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis[(5-ethyl-2,4-diphenyl-1H-inden-1-yl)methyl]silane?
The IUPAC name of bis[(5-ethyl-2,4-diphenyl-1H-inden-1-yl)methyl]silane (CID 173236715) is bis[(5-ethyl-2,4-diphenyl-1H-inden-1-yl)methyl]silane.
What is the SMILES notation for bis[(5-ethyl-2,4-diphenyl-1H-inden-1-yl)methyl]silane?
The canonical SMILES for bis[(5-ethyl-2,4-diphenyl-1H-inden-1-yl)methyl]silane is CCc1ccc2c(c1-c1ccccc1)C=C(c1ccccc1)C2C[SiH2]CC1C(c2ccccc2)=Cc2c1ccc(CC)c2-c1ccccc1.
What is the InChIKey of bis[(5-ethyl-2,4-diphenyl-1H-inden-1-yl)methyl]silane?
The InChIKey is PHAQERYQDCKZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H44Si/c1-3-33-25-27-39-43(47(33)37-21-13-7-14-22-37)29-41(35-17-9-5-10-18-35)45(39)31-49-32-46-40-28-26-34(4-2)48(38-23-15-8-16-24-38)44(40)30-42(46)36-19-11-6-12-20-36/h5-30,45-46H,3-4,31-32,49H2,1-2H3.
What are the key properties of bis[(5-ethyl-2,4-diphenyl-1H-inden-1-yl)methyl]silane?
bis[(5-ethyl-2,4-diphenyl-1H-inden-1-yl)methyl]silane has a molecular weight of 648.97 g/mol, XLogP of 12.13, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(5-ethyl-2,4-diphenyl-1H-inden-1-yl)methyl]silane is sourced from PubChem (CID 173236715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).