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

C39H52Si — CID 86667942

IUPACtris(4-butylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
SMILESCCCCc1ccc([Si](C2=C(C)C(C)=C(C)C2C)(c2ccc(CCCC)cc2)c2ccc(CCCC)cc2)cc1
InChIInChI=1S/C39H52Si/c1-8-11-14-33-17-23-36(24-18-33)40(39-31(6)29(4)30(5)32(39)7,37-25-19-34(20-26-37)15-12-9-2)38-27-21-35(22-28-38)16-13-10-3/h17-28,31H,8-16H2,1-7H3
InChIKeyKEUQJZXNGDGVHM-UHFFFAOYSA-N
MW548.93 g/mol
LogP9.03
Rot. Bonds13

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

tris(4-butylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane (PubChem CID 86667942) has the molecular formula C39H52Si and a molecular weight of 548.93 g/mol. Its IUPAC name is tris(4-butylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane.

Molecular Properties

Compound Nametris(4-butylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
PubChem CID86667942
Molecular FormulaC39H52Si
Molecular Weight548.93 g/mol
Exact Mass548.38
IUPAC Nametris(4-butylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
SMILESCCCCc1ccc([Si](C2=C(C)C(C)=C(C)C2C)(c2ccc(CCCC)cc2)c2ccc(CCCC)cc2)cc1
InChIInChI=1S/C39H52Si/c1-8-11-14-33-17-23-36(24-18-33)40(39-31(6)29(4)30(5)32(39)7,37-25-19-34(20-26-37)15-12-9-2)38-27-21-35(22-28-38)16-13-10-3/h17-28,31H,8-16H2,1-7H3
InChIKeyKEUQJZXNGDGVHM-UHFFFAOYSA-N
XLogP9.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.93
LogP ≤ 59.03
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

1-butyl-4-nonylbenzene
CID 59545302
bis(4-butylphenyl)-chloro-methylsilane
CID 59164914
(4-decylphenyl)-trimethylsilane
CID 69331769
(4-butylphenyl)-[(4-butylphenyl)methyl]-dimethylsilane
CID 139774073
tris(4-butylphenyl)-(3-methylcyclopenta-2,4-dien-1-yl)silane
CID 140852682
(3,5-diethylphenyl)-bis(2,4-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123421770
1,4-bis[(4-butylphenyl)methyl]benzene
CID 58021495
1-butyl-4-[(4-butylphenyl)methyl]benzene
CID 57156341
tris[2,5-bis(trimethylsilyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 140632052
1-methyl-4-octylbenzene
CID 11052746
4-butylphenol;tungsten
CID 174758928
(2-butylcyclopenta-1,3-dien-1-yl)-tris(4-butylphenyl)silane
CID 123313636

Frequently Asked Questions

What is the IUPAC name of tris(4-butylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The IUPAC name of tris(4-butylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane (CID 86667942) is tris(4-butylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane.
What is the SMILES notation for tris(4-butylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The canonical SMILES for tris(4-butylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane is CCCCc1ccc([Si](C2=C(C)C(C)=C(C)C2C)(c2ccc(CCCC)cc2)c2ccc(CCCC)cc2)cc1.
What is the InChIKey of tris(4-butylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The InChIKey is KEUQJZXNGDGVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H52Si/c1-8-11-14-33-17-23-36(24-18-33)40(39-31(6)29(4)30(5)32(39)7,37-25-19-34(20-26-37)15-12-9-2)38-27-21-35(22-28-38)16-13-10-3/h17-28,31H,8-16H2,1-7H3.
What are the key properties of tris(4-butylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
tris(4-butylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane has a molecular weight of 548.93 g/mol, XLogP of 9.03, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-butylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane is sourced from PubChem (CID 86667942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).