trimethyl-[2-[3-(2-trimethylsilylethynyl)pentacen-2-yl]ethynyl]silane

C32H30Si2 — CID 90751559

IUPACtrimethyl-[2-[3-(2-trimethylsilylethynyl)pentacen-2-yl]ethynyl]silane
SMILESC[Si](C)(C)C#Cc1cc2cc3cc4cc5ccccc5cc4cc3cc2cc1C#C[Si](C)(C)C
InChIInChI=1S/C32H30Si2/c1-33(2,3)13-11-25-17-29-21-31-19-27-15-23-9-7-8-10-24(23)16-28(27)20-32(31)22-30(29)18-26(25)12-14-34(4,5)6/h7-10,15-22H,1-6H3
InChIKeyPUIVDSBERQSRBK-UHFFFAOYSA-N
MW470.76 g/mol
LogP8.76
Rot. Bonds

About trimethyl-[2-[3-(2-trimethylsilylethynyl)pentacen-2-yl]ethynyl]silane

trimethyl-[2-[3-(2-trimethylsilylethynyl)pentacen-2-yl]ethynyl]silane (PubChem CID 90751559) has the molecular formula C32H30Si2 and a molecular weight of 470.76 g/mol. Its IUPAC name is trimethyl-[2-[3-(2-trimethylsilylethynyl)pentacen-2-yl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[3-(2-trimethylsilylethynyl)pentacen-2-yl]ethynyl]silane
PubChem CID90751559
Molecular FormulaC32H30Si2
Molecular Weight470.76 g/mol
Exact Mass470.19
IUPAC Nametrimethyl-[2-[3-(2-trimethylsilylethynyl)pentacen-2-yl]ethynyl]silane
SMILESC[Si](C)(C)C#Cc1cc2cc3cc4cc5ccccc5cc4cc3cc2cc1C#C[Si](C)(C)C
InChIInChI=1S/C32H30Si2/c1-33(2,3)13-11-25-17-29-21-31-19-27-15-23-9-7-8-10-24(23)16-28(27)20-32(31)22-30(29)18-26(25)12-14-34(4,5)6/h7-10,15-22H,1-6H3
InChIKeyPUIVDSBERQSRBK-UHFFFAOYSA-N
XLogP8.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.76
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

trimethyl(2-pentacen-1-ylethynyl)silane
CID 141150264
trimethyl(2-naphthalen-2-ylethynyl)silane
CID 12579656
2-chrysen-5-yl(1,2-13C2)ethynyl(trimethyl)silane
CID 66552882
2-[4-[3,4-bis(2-trimethylsilylethynyl)phenyl]-2-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane
CID 5249685
2-[3,6-dimethoxy-7-(2-trimethylsilylethynyl)naphthalen-2-yl]ethynyl-trimethylsilane
CID 169050071
2-[3,6-ditert-butyl-7-(2-trimethylsilylethynyl)naphthalen-2-yl]ethynyl-trimethylsilane
CID 169050031
ethane;pentacene
CID 91470616
dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentaconta-1(50),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48-pentacosaene
CID 54171203
[1-[2-acetyloxy-3-(2-trimethylsilylethynyl)naphthalen-1-yl]-3-(2-trimethylsilylethynyl)naphthalen-2-yl] acetate
CID 132522627
trimethyl-[2-[10-(2-trimethylsilylethynyl)fluoranthen-7-yl]ethynyl]silane
CID 10949276
2-(2-methoxyphenyl)ethynyl-trimethylsilane
CID 5140915
trimethyl-[2-[1-methyl-13-(2-trimethylsilylethynyl)pentacen-6-yl]ethynyl]silane
CID 59775484

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[3-(2-trimethylsilylethynyl)pentacen-2-yl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[3-(2-trimethylsilylethynyl)pentacen-2-yl]ethynyl]silane (CID 90751559) is trimethyl-[2-[3-(2-trimethylsilylethynyl)pentacen-2-yl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[3-(2-trimethylsilylethynyl)pentacen-2-yl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[3-(2-trimethylsilylethynyl)pentacen-2-yl]ethynyl]silane is C[Si](C)(C)C#Cc1cc2cc3cc4cc5ccccc5cc4cc3cc2cc1C#C[Si](C)(C)C.
What is the InChIKey of trimethyl-[2-[3-(2-trimethylsilylethynyl)pentacen-2-yl]ethynyl]silane?
The InChIKey is PUIVDSBERQSRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30Si2/c1-33(2,3)13-11-25-17-29-21-31-19-27-15-23-9-7-8-10-24(23)16-28(27)20-32(31)22-30(29)18-26(25)12-14-34(4,5)6/h7-10,15-22H,1-6H3.
What are the key properties of trimethyl-[2-[3-(2-trimethylsilylethynyl)pentacen-2-yl]ethynyl]silane?
trimethyl-[2-[3-(2-trimethylsilylethynyl)pentacen-2-yl]ethynyl]silane has a molecular weight of 470.76 g/mol, XLogP of 8.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[3-(2-trimethylsilylethynyl)pentacen-2-yl]ethynyl]silane is sourced from PubChem (CID 90751559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).