[2-cyclopropyl-4-(2-phenylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[4-(3,5-ditert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane

C50H70Si — CID 123192416

IUPAC[2-cyclopropyl-4-(2-phenylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[4-(3,5-ditert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane
SMILESCC1CC2C(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)CCCC2C1[Si](C)(C)C1C(C2CC2)CC2C(c3ccccc3-c3ccccc3)CCCC21
InChIInChI=1S/C50H70Si/c1-32-27-45-39(35-28-36(49(2,3)4)30-37(29-35)50(5,6)7)21-15-23-42(45)47(32)51(8,9)48-43-24-16-22-41(46(43)31-44(48)34-25-26-34)40-20-14-13-19-38(40)33-17-11-10-12-18-33/h10-14,17-20,28-30,32,34,39,41-48H,15-16,21-27,31H2,1-9H3
InChIKeyQLRXWDBLWRKBSN-UHFFFAOYSA-N
MW699.20 g/mol
LogP14.57
Rot. Bonds6

About [2-cyclopropyl-4-(2-phenylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[4-(3,5-ditert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane

[2-cyclopropyl-4-(2-phenylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[4-(3,5-ditert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane (PubChem CID 123192416) has the molecular formula C50H70Si and a molecular weight of 699.20 g/mol. Its IUPAC name is [2-cyclopropyl-4-(2-phenylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[4-(3,5-ditert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane.

Molecular Properties

Compound Name[2-cyclopropyl-4-(2-phenylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[4-(3,5-ditert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane
PubChem CID123192416
Molecular FormulaC50H70Si
Molecular Weight699.20 g/mol
Exact Mass698.52
IUPAC Name[2-cyclopropyl-4-(2-phenylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[4-(3,5-ditert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane
SMILESCC1CC2C(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)CCCC2C1[Si](C)(C)C1C(C2CC2)CC2C(c3ccccc3-c3ccccc3)CCCC21
InChIInChI=1S/C50H70Si/c1-32-27-45-39(35-28-36(49(2,3)4)30-37(29-35)50(5,6)7)21-15-23-42(45)47(32)51(8,9)48-43-24-16-22-41(46(43)31-44(48)34-25-26-34)40-20-14-13-19-38(40)33-17-11-10-12-18-33/h10-14,17-20,28-30,32,34,39,41-48H,15-16,21-27,31H2,1-9H3
InChIKeyQLRXWDBLWRKBSN-UHFFFAOYSA-N
XLogP14.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.20
LogP ≤ 514.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [2-cyclopropyl-4-(2-phenylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[4-(3,5-ditert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-cyclopropyl-4-(2-phenylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[4-(3,5-ditert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane?
The IUPAC name of [2-cyclopropyl-4-(2-phenylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[4-(3,5-ditert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane (CID 123192416) is [2-cyclopropyl-4-(2-phenylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[4-(3,5-ditert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane.
What is the SMILES notation for [2-cyclopropyl-4-(2-phenylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[4-(3,5-ditert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane?
The canonical SMILES for [2-cyclopropyl-4-(2-phenylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[4-(3,5-ditert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane is CC1CC2C(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)CCCC2C1[Si](C)(C)C1C(C2CC2)CC2C(c3ccccc3-c3ccccc3)CCCC21.
What is the InChIKey of [2-cyclopropyl-4-(2-phenylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[4-(3,5-ditert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane?
The InChIKey is QLRXWDBLWRKBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H70Si/c1-32-27-45-39(35-28-36(49(2,3)4)30-37(29-35)50(5,6)7)21-15-23-42(45)47(32)51(8,9)48-43-24-16-22-41(46(43)31-44(48)34-25-26-34)40-20-14-13-19-38(40)33-17-11-10-12-18-33/h10-14,17-20,28-30,32,34,39,41-48H,15-16,21-27,31H2,1-9H3.
What are the key properties of [2-cyclopropyl-4-(2-phenylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[4-(3,5-ditert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane?
[2-cyclopropyl-4-(2-phenylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[4-(3,5-ditert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane has a molecular weight of 699.20 g/mol, XLogP of 14.57, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-4-(2-phenylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[4-(3,5-ditert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane is sourced from PubChem (CID 123192416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).