tris[3,5-di(propan-2-yl)phenyl]-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)silane

C44H62Si — CID 140588892

IUPACtris[3,5-di(propan-2-yl)phenyl]-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)silane
SMILESCC(C)C1=C([Si](c2cc(C(C)C)cc(C(C)C)c2)(c2cc(C(C)C)cc(C(C)C)c2)c2cc(C(C)C)cc(C(C)C)c2)CC=C1
InChIInChI=1S/C44H62Si/c1-27(2)34-18-35(28(3)4)22-40(21-34)45(44-17-15-16-43(44)33(13)14,41-23-36(29(5)6)19-37(24-41)30(7)8)42-25-38(31(9)10)20-39(26-42)32(11)12/h15-16,18-33H,17H2,1-14H3
InChIKeyVEBRQVVSMCQJSN-UHFFFAOYSA-N
MW619.07 g/mol
LogP11.35
Rot. Bonds11

About tris[3,5-di(propan-2-yl)phenyl]-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)silane

tris[3,5-di(propan-2-yl)phenyl]-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)silane (PubChem CID 140588892) has the molecular formula C44H62Si and a molecular weight of 619.07 g/mol. Its IUPAC name is tris[3,5-di(propan-2-yl)phenyl]-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)silane.

Molecular Properties

Compound Nametris[3,5-di(propan-2-yl)phenyl]-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)silane
PubChem CID140588892
Molecular FormulaC44H62Si
Molecular Weight619.07 g/mol
Exact Mass618.46
IUPAC Nametris[3,5-di(propan-2-yl)phenyl]-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)silane
SMILESCC(C)C1=C([Si](c2cc(C(C)C)cc(C(C)C)c2)(c2cc(C(C)C)cc(C(C)C)c2)c2cc(C(C)C)cc(C(C)C)c2)CC=C1
InChIInChI=1S/C44H62Si/c1-27(2)34-18-35(28(3)4)22-40(21-34)45(44-17-15-16-43(44)33(13)14,41-23-36(29(5)6)19-37(24-41)30(7)8)42-25-38(31(9)10)20-39(26-42)32(11)12/h15-16,18-33H,17H2,1-14H3
InChIKeyVEBRQVVSMCQJSN-UHFFFAOYSA-N
XLogP11.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.07
LogP ≤ 511.35
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

tris[3,5-di(propan-2-yl)phenyl]-(2-ethylcyclopenta-1,3-dien-1-yl)silane
CID 140588420
(2-butan-2-ylcyclopenta-1,3-dien-1-yl)-tris(3,5-diethylphenyl)silane
CID 140589137
1,2-di(propan-2-yl)cyclopenta-1,3-diene;ethane
CID 162105362
(2-butan-2-ylcyclopenta-1,3-dien-1-yl)-tris[3,5-di(propan-2-yl)phenyl]silane;titanium(4+);trichloride
CID 173384332
1-methyl-2-propan-2-ylcyclopenta-1,3-diene
CID 12500117
dimethyl-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)silane
CID 102435122
tris[3,5-di(propan-2-yl)phenyl]-(3-ethylcyclopenta-1,3-dien-1-yl)silane
CID 140588480
CID 175757661
CID 175757661
magnesium;1,3,5-tri(propan-2-yl)benzene;dibromide
CID 175275405
bis(2-propan-2-ylcyclopenta-1,3-dien-1-yl)tin
CID 174160021
(3-tert-butylcyclopenta-1,3-dien-1-yl)-tris[3,5-di(propan-2-yl)phenyl]silane;titanium(4+);trichloride
CID 173383973
1-methyl-3-[(3-methylphenyl)-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)methyl]benzene
CID 123655796

Frequently Asked Questions

What is the IUPAC name of tris[3,5-di(propan-2-yl)phenyl]-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)silane?
The IUPAC name of tris[3,5-di(propan-2-yl)phenyl]-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)silane (CID 140588892) is tris[3,5-di(propan-2-yl)phenyl]-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)silane.
What is the SMILES notation for tris[3,5-di(propan-2-yl)phenyl]-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)silane?
The canonical SMILES for tris[3,5-di(propan-2-yl)phenyl]-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)silane is CC(C)C1=C([Si](c2cc(C(C)C)cc(C(C)C)c2)(c2cc(C(C)C)cc(C(C)C)c2)c2cc(C(C)C)cc(C(C)C)c2)CC=C1.
What is the InChIKey of tris[3,5-di(propan-2-yl)phenyl]-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)silane?
The InChIKey is VEBRQVVSMCQJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H62Si/c1-27(2)34-18-35(28(3)4)22-40(21-34)45(44-17-15-16-43(44)33(13)14,41-23-36(29(5)6)19-37(24-41)30(7)8)42-25-38(31(9)10)20-39(26-42)32(11)12/h15-16,18-33H,17H2,1-14H3.
What are the key properties of tris[3,5-di(propan-2-yl)phenyl]-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)silane?
tris[3,5-di(propan-2-yl)phenyl]-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)silane has a molecular weight of 619.07 g/mol, XLogP of 11.35, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris[3,5-di(propan-2-yl)phenyl]-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)silane is sourced from PubChem (CID 140588892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).