tris(3-propan-2-ylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane

C36H46Si — CID 140671833

IUPACtris(3-propan-2-ylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
SMILESCC1=C(C)C(C)C([Si](c2cccc(C(C)C)c2)(c2cccc(C(C)C)c2)c2cccc(C(C)C)c2)=C1C
InChIInChI=1S/C36H46Si/c1-23(2)30-14-11-17-33(20-30)37(34-18-12-15-31(21-34)24(3)4,35-19-13-16-32(22-35)25(5)6)36-28(9)26(7)27(8)29(36)10/h11-25,28H,1-10H3
InChIKeyKJCPZCPTFOBUBJ-UHFFFAOYSA-N
MW506.85 g/mol
LogP8.37
Rot. Bonds7

About tris(3-propan-2-ylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane

tris(3-propan-2-ylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane (PubChem CID 140671833) has the molecular formula C36H46Si and a molecular weight of 506.85 g/mol. Its IUPAC name is tris(3-propan-2-ylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane.

Molecular Properties

Compound Nametris(3-propan-2-ylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
PubChem CID140671833
Molecular FormulaC36H46Si
Molecular Weight506.85 g/mol
Exact Mass506.34
IUPAC Nametris(3-propan-2-ylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
SMILESCC1=C(C)C(C)C([Si](c2cccc(C(C)C)c2)(c2cccc(C(C)C)c2)c2cccc(C(C)C)c2)=C1C
InChIInChI=1S/C36H46Si/c1-23(2)30-14-11-17-33(20-30)37(34-18-12-15-31(21-34)24(3)4,35-19-13-16-32(22-35)25(5)6)36-28(9)26(7)27(8)29(36)10/h11-25,28H,1-10H3
InChIKeyKJCPZCPTFOBUBJ-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-methylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane
CID 140671836
titanium(4+);tris(3-propan-2-ylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane;trichloride
CID 173463807
(3-tert-butylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane
CID 140588355
cyclopenta-2,4-dien-1-yl-tris(3-propan-2-ylphenyl)silane;methanamine
CID 174773770
(5-propan-2-ylcyclopenta-1,4-dien-1-yl)-tris(3-propan-2-ylphenyl)silane;titanium(4+);trichloride
CID 173473555
ethane;1-methyl-3-propan-2-ylbenzene
CID 142020139
1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;ethane
CID 158231247
benzene;ethane;1-methyl-3-propan-2-ylbenzene
CID 143383161
hydrogen peroxide;bis(1-methyl-3-propan-2-ylbenzene)
CID 172708535
(3-methylcyclopenta-2,4-dien-1-yl)-tris(3-propan-2-ylphenyl)silane;titanium(4+);trichloride
CID 159589336
(2-methyl-1,3-dihydroinden-3-id-1-yl)-tris(3-propan-2-ylphenyl)silane;titanium(4+);trichloride
CID 159911198
tris[2,3-dimethyl-4,6-bis(trimethylsilyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 140632013

Frequently Asked Questions

What is the IUPAC name of tris(3-propan-2-ylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The IUPAC name of tris(3-propan-2-ylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane (CID 140671833) is tris(3-propan-2-ylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane.
What is the SMILES notation for tris(3-propan-2-ylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The canonical SMILES for tris(3-propan-2-ylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane is CC1=C(C)C(C)C([Si](c2cccc(C(C)C)c2)(c2cccc(C(C)C)c2)c2cccc(C(C)C)c2)=C1C.
What is the InChIKey of tris(3-propan-2-ylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The InChIKey is KJCPZCPTFOBUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H46Si/c1-23(2)30-14-11-17-33(20-30)37(34-18-12-15-31(21-34)24(3)4,35-19-13-16-32(22-35)25(5)6)36-28(9)26(7)27(8)29(36)10/h11-25,28H,1-10H3.
What are the key properties of tris(3-propan-2-ylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
tris(3-propan-2-ylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)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 tris(3-propan-2-ylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane is sourced from PubChem (CID 140671833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).