dimethyl-bis[4-(4-methylphenyl)-2-propan-2-yl-1H-inden-1-yl]silane

C40H44Si — CID 22994949

IUPACdimethyl-bis[4-(4-methylphenyl)-2-propan-2-yl-1H-inden-1-yl]silane
SMILESCc1ccc(-c2cccc3c2C=C(C(C)C)C3[Si](C)(C)C2C(C(C)C)=Cc3c(-c4ccc(C)cc4)cccc32)cc1
InChIInChI=1S/C40H44Si/c1-25(2)35-23-37-31(29-19-15-27(5)16-20-29)11-9-13-33(37)39(35)41(7,8)40-34-14-10-12-32(30-21-17-28(6)18-22-30)38(34)24-36(40)26(3)4/h9-26,39-40H,1-8H3
InChIKeyBYWJVFMNKLNHBX-UHFFFAOYSA-N
MW552.88 g/mol
LogP11.40
Rot. Bonds6

About dimethyl-bis[4-(4-methylphenyl)-2-propan-2-yl-1H-inden-1-yl]silane

dimethyl-bis[4-(4-methylphenyl)-2-propan-2-yl-1H-inden-1-yl]silane (PubChem CID 22994949) has the molecular formula C40H44Si and a molecular weight of 552.88 g/mol. Its IUPAC name is dimethyl-bis[4-(4-methylphenyl)-2-propan-2-yl-1H-inden-1-yl]silane.

Molecular Properties

Compound Namedimethyl-bis[4-(4-methylphenyl)-2-propan-2-yl-1H-inden-1-yl]silane
PubChem CID22994949
Molecular FormulaC40H44Si
Molecular Weight552.88 g/mol
Exact Mass552.32
IUPAC Namedimethyl-bis[4-(4-methylphenyl)-2-propan-2-yl-1H-inden-1-yl]silane
SMILESCc1ccc(-c2cccc3c2C=C(C(C)C)C3[Si](C)(C)C2C(C(C)C)=Cc3c(-c4ccc(C)cc4)cccc32)cc1
InChIInChI=1S/C40H44Si/c1-25(2)35-23-37-31(29-19-15-27(5)16-20-29)11-9-13-33(37)39(35)41(7,8)40-34-14-10-12-32(30-21-17-28(6)18-22-30)38(34)24-36(40)26(3)4/h9-26,39-40H,1-8H3
InChIKeyBYWJVFMNKLNHBX-UHFFFAOYSA-N
XLogP11.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.88
LogP ≤ 511.40
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 dimethyl-bis[4-(4-methylphenyl)-2-propan-2-yl-1H-inden-1-yl]silane?
The IUPAC name of dimethyl-bis[4-(4-methylphenyl)-2-propan-2-yl-1H-inden-1-yl]silane (CID 22994949) is dimethyl-bis[4-(4-methylphenyl)-2-propan-2-yl-1H-inden-1-yl]silane.
What is the SMILES notation for dimethyl-bis[4-(4-methylphenyl)-2-propan-2-yl-1H-inden-1-yl]silane?
The canonical SMILES for dimethyl-bis[4-(4-methylphenyl)-2-propan-2-yl-1H-inden-1-yl]silane is Cc1ccc(-c2cccc3c2C=C(C(C)C)C3[Si](C)(C)C2C(C(C)C)=Cc3c(-c4ccc(C)cc4)cccc32)cc1.
What is the InChIKey of dimethyl-bis[4-(4-methylphenyl)-2-propan-2-yl-1H-inden-1-yl]silane?
The InChIKey is BYWJVFMNKLNHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H44Si/c1-25(2)35-23-37-31(29-19-15-27(5)16-20-29)11-9-13-33(37)39(35)41(7,8)40-34-14-10-12-32(30-21-17-28(6)18-22-30)38(34)24-36(40)26(3)4/h9-26,39-40H,1-8H3.
What are the key properties of dimethyl-bis[4-(4-methylphenyl)-2-propan-2-yl-1H-inden-1-yl]silane?
dimethyl-bis[4-(4-methylphenyl)-2-propan-2-yl-1H-inden-1-yl]silane has a molecular weight of 552.88 g/mol, XLogP of 11.40, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis[4-(4-methylphenyl)-2-propan-2-yl-1H-inden-1-yl]silane is sourced from PubChem (CID 22994949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).