(3-tert-butylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane

C36H46Si — CID 140588355

IUPAC(3-tert-butylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane
SMILESCC(C)c1cccc([Si](C2=CC(C(C)(C)C)=CC2)(c2cccc(C(C)C)c2)c2cccc(C(C)C)c2)c1
InChIInChI=1S/C36H46Si/c1-25(2)28-13-10-16-32(21-28)37(33-17-11-14-29(22-33)26(3)4,34-18-12-15-30(23-34)27(5)6)35-20-19-31(24-35)36(7,8)9/h10-19,21-27H,20H2,1-9H3
InChIKeyKWLNDAWUHOGZDD-UHFFFAOYSA-N
MW506.85 g/mol
LogP8.37
Rot. Bonds7

About (3-tert-butylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane

(3-tert-butylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane (PubChem CID 140588355) has the molecular formula C36H46Si and a molecular weight of 506.85 g/mol. Its IUPAC name is (3-tert-butylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane.

Molecular Properties

Compound Name(3-tert-butylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane
PubChem CID140588355
Molecular FormulaC36H46Si
Molecular Weight506.85 g/mol
Exact Mass506.34
IUPAC Name(3-tert-butylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane
SMILESCC(C)c1cccc([Si](C2=CC(C(C)(C)C)=CC2)(c2cccc(C(C)C)c2)c2cccc(C(C)C)c2)c1
InChIInChI=1S/C36H46Si/c1-25(2)28-13-10-16-32(21-28)37(33-17-11-14-29(22-33)26(3)4,34-18-12-15-30(23-34)27(5)6)35-20-19-31(24-35)36(7,8)9/h10-19,21-27H,20H2,1-9H3
InChIKeyKWLNDAWUHOGZDD-UHFFFAOYSA-N
XLogP8.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.85
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3-tert-butylcyclopenta-1,3-dien-1-yl)-tris(3-methylphenyl)silane
CID 140588612
(3-methylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane
CID 140671836
(3-benzylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane
CID 140589112
(5-propan-2-ylcyclopenta-1,4-dien-1-yl)-tris(3-propan-2-ylphenyl)silane;titanium(4+);trichloride
CID 173473555
(3-ethylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane;titanium(4+);trichloride
CID 173384506
tris(3-propan-2-ylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 140671833
(5-benzylcyclopenta-1,4-dien-1-yl)-tris(3-propan-2-ylphenyl)silane;titanium;trihydrochloride
CID 173475028
titanium(4+);tris(3-propan-2-ylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane;trichloride
CID 173463807
1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;ethane
CID 158231247
cyclopenta-2,4-dien-1-yl-tris(3-propan-2-ylphenyl)silane;methanamine
CID 174773770
1-methyl-3-(3-propan-2-ylphenyl)azetidine
CID 166510487
2-[3-(3-propan-2-ylphenyl)phenyl]propan-2-ol
CID 170591106

Frequently Asked Questions

What is the IUPAC name of (3-tert-butylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane?
The IUPAC name of (3-tert-butylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane (CID 140588355) is (3-tert-butylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane.
What is the SMILES notation for (3-tert-butylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane?
The canonical SMILES for (3-tert-butylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane is CC(C)c1cccc([Si](C2=CC(C(C)(C)C)=CC2)(c2cccc(C(C)C)c2)c2cccc(C(C)C)c2)c1.
What is the InChIKey of (3-tert-butylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane?
The InChIKey is KWLNDAWUHOGZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H46Si/c1-25(2)28-13-10-16-32(21-28)37(33-17-11-14-29(22-33)26(3)4,34-18-12-15-30(23-34)27(5)6)35-20-19-31(24-35)36(7,8)9/h10-19,21-27H,20H2,1-9H3.
What are the key properties of (3-tert-butylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane?
(3-tert-butylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane has a molecular weight of 506.85 g/mol, XLogP of 8.37, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane is sourced from PubChem (CID 140588355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).