trimethyl-[2-[2-[2-[2-[2-[2-(2-phenylethynyl)cyclopenten-1-yl]ethynyl]cyclopenten-1-yl]ethynyl]cyclopenten-1-yl]ethynyl]silane

C32H32Si — CID 10972309

IUPACtrimethyl-[2-[2-[2-[2-[2-[2-(2-phenylethynyl)cyclopenten-1-yl]ethynyl]cyclopenten-1-yl]ethynyl]cyclopenten-1-yl]ethynyl]silane
SMILESC[Si](C)(C)C#CC1=C(C#CC2=C(C#CC3=C(C#Cc4ccccc4)CCC3)CCC2)CCC1
InChIInChI=1S/C32H32Si/c1-33(2,3)25-24-32-17-9-16-31(32)23-22-30-15-8-14-29(30)21-20-28-13-7-12-27(28)19-18-26-10-5-4-6-11-26/h4-6,10-11H,7-9,12-17H2,1-3H3
InChIKeyZNEGCQSGRODDBN-UHFFFAOYSA-N
MW444.69 g/mol
LogP7.37
Rot. Bonds

About trimethyl-[2-[2-[2-[2-[2-[2-(2-phenylethynyl)cyclopenten-1-yl]ethynyl]cyclopenten-1-yl]ethynyl]cyclopenten-1-yl]ethynyl]silane

trimethyl-[2-[2-[2-[2-[2-[2-(2-phenylethynyl)cyclopenten-1-yl]ethynyl]cyclopenten-1-yl]ethynyl]cyclopenten-1-yl]ethynyl]silane (PubChem CID 10972309) has the molecular formula C32H32Si and a molecular weight of 444.69 g/mol. Its IUPAC name is trimethyl-[2-[2-[2-[2-[2-[2-(2-phenylethynyl)cyclopenten-1-yl]ethynyl]cyclopenten-1-yl]ethynyl]cyclopenten-1-yl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[2-[2-[2-[2-[2-(2-phenylethynyl)cyclopenten-1-yl]ethynyl]cyclopenten-1-yl]ethynyl]cyclopenten-1-yl]ethynyl]silane
PubChem CID10972309
Molecular FormulaC32H32Si
Molecular Weight444.69 g/mol
Exact Mass444.23
IUPAC Nametrimethyl-[2-[2-[2-[2-[2-[2-(2-phenylethynyl)cyclopenten-1-yl]ethynyl]cyclopenten-1-yl]ethynyl]cyclopenten-1-yl]ethynyl]silane
SMILESC[Si](C)(C)C#CC1=C(C#CC2=C(C#CC3=C(C#Cc4ccccc4)CCC3)CCC2)CCC1
InChIInChI=1S/C32H32Si/c1-33(2,3)25-24-32-17-9-16-31(32)23-22-30-15-8-14-29(30)21-20-28-13-7-12-27(28)19-18-26-10-5-4-6-11-26/h4-6,10-11H,7-9,12-17H2,1-3H3
InChIKeyZNEGCQSGRODDBN-UHFFFAOYSA-N
XLogP7.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.69
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[2-[2-(2-phenylethynyl)cyclobuta-1,3-dien-1-yl]ethynyl]silane
CID 11079621
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
2-(2-phenylethynyl)cyclohexene-1-carbaldehyde
CID 13205236
methylsulfanylmethane;2-phenylethynylbenzene
CID 166709013
oxophosphanium;2-phenylethynylbenzene
CID 161111354
2-phenylethynylbenzene;hydrofluoride
CID 158259923
2-phenylethynylbenzene;dihydrochloride
CID 174927104
ethane;ethynylbenzene;ethynyl(trimethyl)silane;iodobenzene;methane;bis(2-phenylethynylbenzene);trimethyl(2-phenylethynyl)silane
CID 158335292
trimethyl-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]silane
CID 66777028
[3-(dibromomethylidene)-5-phenylpenta-1,4-diynyl]-trimethylsilane
CID 14937077
phenyl-[4-(2-trimethylsilylethynyl)phenyl]methanone
CID 15849413
trimethyl-[2-[(2R,3R)-3-(2-phenylethynyl)aziridin-2-yl]ethynyl]silane
CID 101176241

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[2-[2-[2-[2-[2-(2-phenylethynyl)cyclopenten-1-yl]ethynyl]cyclopenten-1-yl]ethynyl]cyclopenten-1-yl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[2-[2-[2-[2-[2-(2-phenylethynyl)cyclopenten-1-yl]ethynyl]cyclopenten-1-yl]ethynyl]cyclopenten-1-yl]ethynyl]silane (CID 10972309) is trimethyl-[2-[2-[2-[2-[2-[2-(2-phenylethynyl)cyclopenten-1-yl]ethynyl]cyclopenten-1-yl]ethynyl]cyclopenten-1-yl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[2-[2-[2-[2-[2-(2-phenylethynyl)cyclopenten-1-yl]ethynyl]cyclopenten-1-yl]ethynyl]cyclopenten-1-yl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[2-[2-[2-[2-[2-(2-phenylethynyl)cyclopenten-1-yl]ethynyl]cyclopenten-1-yl]ethynyl]cyclopenten-1-yl]ethynyl]silane is C[Si](C)(C)C#CC1=C(C#CC2=C(C#CC3=C(C#Cc4ccccc4)CCC3)CCC2)CCC1.
What is the InChIKey of trimethyl-[2-[2-[2-[2-[2-[2-(2-phenylethynyl)cyclopenten-1-yl]ethynyl]cyclopenten-1-yl]ethynyl]cyclopenten-1-yl]ethynyl]silane?
The InChIKey is ZNEGCQSGRODDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32Si/c1-33(2,3)25-24-32-17-9-16-31(32)23-22-30-15-8-14-29(30)21-20-28-13-7-12-27(28)19-18-26-10-5-4-6-11-26/h4-6,10-11H,7-9,12-17H2,1-3H3.
What are the key properties of trimethyl-[2-[2-[2-[2-[2-[2-(2-phenylethynyl)cyclopenten-1-yl]ethynyl]cyclopenten-1-yl]ethynyl]cyclopenten-1-yl]ethynyl]silane?
trimethyl-[2-[2-[2-[2-[2-[2-(2-phenylethynyl)cyclopenten-1-yl]ethynyl]cyclopenten-1-yl]ethynyl]cyclopenten-1-yl]ethynyl]silane has a molecular weight of 444.69 g/mol, XLogP of 7.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[2-[2-[2-[2-[2-(2-phenylethynyl)cyclopenten-1-yl]ethynyl]cyclopenten-1-yl]ethynyl]cyclopenten-1-yl]ethynyl]silane is sourced from PubChem (CID 10972309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).