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

C39H44Si — CID 140589112

IUPAC(3-benzylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane
SMILESCC(C)c1cccc([Si](C2=CC(Cc3ccccc3)=CC2)(c2cccc(C(C)C)c2)c2cccc(C(C)C)c2)c1
InChIInChI=1S/C39H44Si/c1-28(2)33-15-10-18-36(25-33)40(37-19-11-16-34(26-37)29(3)4,38-20-12-17-35(27-38)30(5)6)39-22-21-32(24-39)23-31-13-8-7-9-14-31/h7-21,24-30H,22-23H2,1-6H3
InChIKeyRSVJRGNASMWKOI-UHFFFAOYSA-N
MW540.87 g/mol
LogP8.57
Rot. Bonds9

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

(3-benzylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane (PubChem CID 140589112) has the molecular formula C39H44Si and a molecular weight of 540.87 g/mol. Its IUPAC name is (3-benzylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane.

Molecular Properties

Compound Name(3-benzylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane
PubChem CID140589112
Molecular FormulaC39H44Si
Molecular Weight540.87 g/mol
Exact Mass540.32
IUPAC Name(3-benzylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane
SMILESCC(C)c1cccc([Si](C2=CC(Cc3ccccc3)=CC2)(c2cccc(C(C)C)c2)c2cccc(C(C)C)c2)c1
InChIInChI=1S/C39H44Si/c1-28(2)33-15-10-18-36(25-33)40(37-19-11-16-34(26-37)29(3)4,38-20-12-17-35(27-38)30(5)6)39-22-21-32(24-39)23-31-13-8-7-9-14-31/h7-21,24-30H,22-23H2,1-6H3
InChIKeyRSVJRGNASMWKOI-UHFFFAOYSA-N
XLogP8.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.87
LogP ≤ 58.57
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
(3-tert-butylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane
CID 140588355
(5-benzylcyclopenta-1,4-dien-1-yl)-tris(3-propan-2-ylphenyl)silane;titanium;trihydrochloride
CID 173475028
tris[3,5-di(propan-2-yl)phenyl]-(3-ethylcyclopenta-1,3-dien-1-yl)silane
CID 140588480
(3-benzylcyclopenta-1,3-dien-1-yl)-tris[3,5-di(propan-2-yl)phenyl]silane;titanium(4+);trichloride
CID 173383336
(3-ethylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane;titanium(4+);trichloride
CID 173384506
(5-propan-2-ylcyclopenta-1,4-dien-1-yl)-tris(3-propan-2-ylphenyl)silane;titanium(4+);trichloride
CID 173473555
2-phenyl-1-(3-propan-2-ylphenyl)ethanol
CID 59798288
4-[(3-propan-2-ylphenyl)methyl]aniline
CID 123873947
(3-propan-2-ylphenyl)methanamine
CID 21085835
2-benzyl-5-propan-2-ylpyrimidine
CID 58170294
1-(3-benzylphenyl)ethanamine
CID 69109207

Frequently Asked Questions

What is the IUPAC name of (3-benzylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane?
The IUPAC name of (3-benzylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane (CID 140589112) is (3-benzylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane.
What is the SMILES notation for (3-benzylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane?
The canonical SMILES for (3-benzylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane is CC(C)c1cccc([Si](C2=CC(Cc3ccccc3)=CC2)(c2cccc(C(C)C)c2)c2cccc(C(C)C)c2)c1.
What is the InChIKey of (3-benzylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane?
The InChIKey is RSVJRGNASMWKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H44Si/c1-28(2)33-15-10-18-36(25-33)40(37-19-11-16-34(26-37)29(3)4,38-20-12-17-35(27-38)30(5)6)39-22-21-32(24-39)23-31-13-8-7-9-14-31/h7-21,24-30H,22-23H2,1-6H3.
What are the key properties of (3-benzylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane?
(3-benzylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane has a molecular weight of 540.87 g/mol, XLogP of 8.57, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane is sourced from PubChem (CID 140589112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).