5-[4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-yl]-9,9-dimethyl-3-phenyl-10-propan-2-yl-9-silatricyclo[6.1.1.02,7]deca-1(10),2,4,6-tetraene

C41H44Si — CID 173379613

IUPAC5-[4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-yl]-9,9-dimethyl-3-phenyl-10-propan-2-yl-9-silatricyclo[6.1.1.02,7]deca-1(10),2,4,6-tetraene
SMILESCCC1=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc2C1c1cc(-c2ccccc2)c2c(c1)C1C(C(C)C)=C2[Si]1(C)C
InChIInChI=1S/C41H44Si/c1-9-26-22-34-31(28-18-20-30(21-19-28)41(4,5)6)16-13-17-32(34)37(26)29-23-33(27-14-11-10-12-15-27)38-35(24-29)39-36(25(2)3)40(38)42(39,7)8/h10-25,37,39H,9H2,1-8H3
InChIKeyIRQUBOYCFAFJHY-UHFFFAOYSA-N
MW564.89 g/mol
LogP11.56
Rot. Bonds5

About 5-[4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-yl]-9,9-dimethyl-3-phenyl-10-propan-2-yl-9-silatricyclo[6.1.1.02,7]deca-1(10),2,4,6-tetraene

5-[4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-yl]-9,9-dimethyl-3-phenyl-10-propan-2-yl-9-silatricyclo[6.1.1.02,7]deca-1(10),2,4,6-tetraene (PubChem CID 173379613) has the molecular formula C41H44Si and a molecular weight of 564.89 g/mol. Its IUPAC name is 5-[4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-yl]-9,9-dimethyl-3-phenyl-10-propan-2-yl-9-silatricyclo[6.1.1.02,7]deca-1(10),2,4,6-tetraene.

Molecular Properties

Compound Name5-[4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-yl]-9,9-dimethyl-3-phenyl-10-propan-2-yl-9-silatricyclo[6.1.1.02,7]deca-1(10),2,4,6-tetraene
PubChem CID173379613
Molecular FormulaC41H44Si
Molecular Weight564.89 g/mol
Exact Mass564.32
IUPAC Name5-[4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-yl]-9,9-dimethyl-3-phenyl-10-propan-2-yl-9-silatricyclo[6.1.1.02,7]deca-1(10),2,4,6-tetraene
SMILESCCC1=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc2C1c1cc(-c2ccccc2)c2c(c1)C1C(C(C)C)=C2[Si]1(C)C
InChIInChI=1S/C41H44Si/c1-9-26-22-34-31(28-18-20-30(21-19-28)41(4,5)6)16-13-17-32(34)37(26)29-23-33(27-14-11-10-12-15-27)38-35(24-29)39-36(25(2)3)40(38)42(39,7)8/h10-25,37,39H,9H2,1-8H3
InChIKeyIRQUBOYCFAFJHY-UHFFFAOYSA-N
XLogP11.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.89
LogP ≤ 511.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-(4-tert-butylphenyl)-1-[1-[4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-yl]propyl]-2-ethyl-1H-indene
CID 173239126
3,6-ditert-butyl-1-(4-phenyl-2-propyl-1H-inden-1-yl)-9H-fluorene
CID 157279326
CID 162724348
CID 162724348
bis[2-ethyl-4-(4-propan-2-ylphenyl)-1H-inden-1-yl]-dimethylsilane
CID 22994891
6-tert-butyl-1-[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-2-methyl-5-(2-methylpropoxy)-4-phenyl-1H-indene
CID 172772680
9,9,10-trimethyl-3-phenyl-9-silatricyclo[6.1.1.02,7]deca-1(10),2,4,6-tetraene
CID 173209715
CID 174779987
CID 174779987
dibutyl-[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2-propan-2-yl-1H-inden-1-yl]silane
CID 162291107
(2-ethyl-4-phenyl-1H-inden-1-yl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 140672926
bis[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-dimethylgermane
CID 22994910
CID 142753465
CID 142753465
2-ethyl-3-[1-(2-ethyl-4-phenyl-1H-inden-1-yl)butyl]-3H-cyclopenta[a]naphthalene
CID 18508485

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-yl]-9,9-dimethyl-3-phenyl-10-propan-2-yl-9-silatricyclo[6.1.1.02,7]deca-1(10),2,4,6-tetraene?
The IUPAC name of 5-[4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-yl]-9,9-dimethyl-3-phenyl-10-propan-2-yl-9-silatricyclo[6.1.1.02,7]deca-1(10),2,4,6-tetraene (CID 173379613) is 5-[4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-yl]-9,9-dimethyl-3-phenyl-10-propan-2-yl-9-silatricyclo[6.1.1.02,7]deca-1(10),2,4,6-tetraene.
What is the SMILES notation for 5-[4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-yl]-9,9-dimethyl-3-phenyl-10-propan-2-yl-9-silatricyclo[6.1.1.02,7]deca-1(10),2,4,6-tetraene?
The canonical SMILES for 5-[4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-yl]-9,9-dimethyl-3-phenyl-10-propan-2-yl-9-silatricyclo[6.1.1.02,7]deca-1(10),2,4,6-tetraene is CCC1=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc2C1c1cc(-c2ccccc2)c2c(c1)C1C(C(C)C)=C2[Si]1(C)C.
What is the InChIKey of 5-[4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-yl]-9,9-dimethyl-3-phenyl-10-propan-2-yl-9-silatricyclo[6.1.1.02,7]deca-1(10),2,4,6-tetraene?
The InChIKey is IRQUBOYCFAFJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H44Si/c1-9-26-22-34-31(28-18-20-30(21-19-28)41(4,5)6)16-13-17-32(34)37(26)29-23-33(27-14-11-10-12-15-27)38-35(24-29)39-36(25(2)3)40(38)42(39,7)8/h10-25,37,39H,9H2,1-8H3.
What are the key properties of 5-[4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-yl]-9,9-dimethyl-3-phenyl-10-propan-2-yl-9-silatricyclo[6.1.1.02,7]deca-1(10),2,4,6-tetraene?
5-[4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-yl]-9,9-dimethyl-3-phenyl-10-propan-2-yl-9-silatricyclo[6.1.1.02,7]deca-1(10),2,4,6-tetraene has a molecular weight of 564.89 g/mol, XLogP of 11.56, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-yl]-9,9-dimethyl-3-phenyl-10-propan-2-yl-9-silatricyclo[6.1.1.02,7]deca-1(10),2,4,6-tetraene is sourced from PubChem (CID 173379613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).