bis(4-butylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane

C35H44Si — CID 173474111

IUPACbis(4-butylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCCCCc1ccc([Si](c2ccccc2)(c2ccc(CCCC)cc2)C2(C)C=C(C)C(C)=C2C)cc1
InChIInChI=1S/C35H44Si/c1-7-9-14-30-18-22-33(23-19-30)36(32-16-12-11-13-17-32,35(6)26-27(3)28(4)29(35)5)34-24-20-31(21-25-34)15-10-8-2/h11-13,16-26H,7-10,14-15H2,1-6H3
InChIKeyGWVITPUGAQTDRP-UHFFFAOYSA-N
MW492.82 g/mol
LogP7.90
Rot. Bonds10

About bis(4-butylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane

bis(4-butylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 173474111) has the molecular formula C35H44Si and a molecular weight of 492.82 g/mol. Its IUPAC name is bis(4-butylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Namebis(4-butylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
PubChem CID173474111
Molecular FormulaC35H44Si
Molecular Weight492.82 g/mol
Exact Mass492.32
IUPAC Namebis(4-butylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCCCCc1ccc([Si](c2ccccc2)(c2ccc(CCCC)cc2)C2(C)C=C(C)C(C)=C2C)cc1
InChIInChI=1S/C35H44Si/c1-7-9-14-30-18-22-33(23-19-30)36(32-16-12-11-13-17-32,35(6)26-27(3)28(4)29(35)5)34-24-20-31(21-25-34)15-10-8-2/h11-13,16-26H,7-10,14-15H2,1-6H3
InChIKeyGWVITPUGAQTDRP-UHFFFAOYSA-N
XLogP7.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.82
LogP ≤ 57.90
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

bis(3,5-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173472930
(3,5-dimethylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)-bis(4-trimethylsilylphenyl)silane
CID 173474312
(4-butylphenyl)methyl-dimethyl-phenylsilane
CID 10636667
[2-(4-butylphenyl)-1,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl]-diphenylsilane
CID 173383265
butylbenzene;propylbenzene
CID 142022125
(4-butylphenyl)-(2,4-dimethylcyclopenta-1,3-dien-1-yl)-diphenylsilane
CID 123280881
1-butyl-4-phenylbenzene;ethane
CID 143743409
butylbenzene;hydroxylamine
CID 175142403
bis(4-butylphenyl)-chloro-methylsilane
CID 59164914
1-butyl-4-methylbenzene;phenol
CID 174834955
butylbenzene;carbonic acid
CID 158278492
1-butyl-4-[(E)-2-phenylethenyl]benzene
CID 100931442

Frequently Asked Questions

What is the IUPAC name of bis(4-butylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of bis(4-butylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane (CID 173474111) is bis(4-butylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for bis(4-butylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for bis(4-butylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane is CCCCc1ccc([Si](c2ccccc2)(c2ccc(CCCC)cc2)C2(C)C=C(C)C(C)=C2C)cc1.
What is the InChIKey of bis(4-butylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is GWVITPUGAQTDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H44Si/c1-7-9-14-30-18-22-33(23-19-30)36(32-16-12-11-13-17-32,35(6)26-27(3)28(4)29(35)5)34-24-20-31(21-25-34)15-10-8-2/h11-13,16-26H,7-10,14-15H2,1-6H3.
What are the key properties of bis(4-butylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
bis(4-butylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 492.82 g/mol, XLogP of 7.90, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-butylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 173474111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).