triethyl-[2-[13-(2-triethylsilylethynyl)pentacen-6-yl]ethynyl]silane

C38H42Si2 — CID 15530604

IUPACtriethyl-[2-[13-(2-triethylsilylethynyl)pentacen-6-yl]ethynyl]silane
SMILESCC[Si](C#Cc1c2cc3ccccc3cc2c(C#C[Si](CC)(CC)CC)c2cc3ccccc3cc12)(CC)CC
InChIInChI=1S/C38H42Si2/c1-7-39(8-2,9-3)23-21-33-35-25-29-17-13-15-19-31(29)27-37(35)34(22-24-40(10-4,11-5)12-6)38-28-32-20-16-14-18-30(32)26-36(33)38/h13-20,25-28H,7-12H2,1-6H3
InChIKeyWSBQAUOFFOKRMX-UHFFFAOYSA-N
MW554.93 g/mol
LogP11.10
Rot. Bonds6

About triethyl-[2-[13-(2-triethylsilylethynyl)pentacen-6-yl]ethynyl]silane

triethyl-[2-[13-(2-triethylsilylethynyl)pentacen-6-yl]ethynyl]silane (PubChem CID 15530604) has the molecular formula C38H42Si2 and a molecular weight of 554.93 g/mol. Its IUPAC name is triethyl-[2-[13-(2-triethylsilylethynyl)pentacen-6-yl]ethynyl]silane.

Molecular Properties

Compound Nametriethyl-[2-[13-(2-triethylsilylethynyl)pentacen-6-yl]ethynyl]silane
PubChem CID15530604
Molecular FormulaC38H42Si2
Molecular Weight554.93 g/mol
Exact Mass554.28
IUPAC Nametriethyl-[2-[13-(2-triethylsilylethynyl)pentacen-6-yl]ethynyl]silane
SMILESCC[Si](C#Cc1c2cc3ccccc3cc2c(C#C[Si](CC)(CC)CC)c2cc3ccccc3cc12)(CC)CC
InChIInChI=1S/C38H42Si2/c1-7-39(8-2,9-3)23-21-33-35-25-29-17-13-15-19-31(29)27-37(35)34(22-24-40(10-4,11-5)12-6)38-28-32-20-16-14-18-30(32)26-36(33)38/h13-20,25-28H,7-12H2,1-6H3
InChIKeyWSBQAUOFFOKRMX-UHFFFAOYSA-N
XLogP11.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.93
LogP ≤ 511.10
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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Frequently Asked Questions

What is the IUPAC name of triethyl-[2-[13-(2-triethylsilylethynyl)pentacen-6-yl]ethynyl]silane?
The IUPAC name of triethyl-[2-[13-(2-triethylsilylethynyl)pentacen-6-yl]ethynyl]silane (CID 15530604) is triethyl-[2-[13-(2-triethylsilylethynyl)pentacen-6-yl]ethynyl]silane.
What is the SMILES notation for triethyl-[2-[13-(2-triethylsilylethynyl)pentacen-6-yl]ethynyl]silane?
The canonical SMILES for triethyl-[2-[13-(2-triethylsilylethynyl)pentacen-6-yl]ethynyl]silane is CC[Si](C#Cc1c2cc3ccccc3cc2c(C#C[Si](CC)(CC)CC)c2cc3ccccc3cc12)(CC)CC.
What is the InChIKey of triethyl-[2-[13-(2-triethylsilylethynyl)pentacen-6-yl]ethynyl]silane?
The InChIKey is WSBQAUOFFOKRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H42Si2/c1-7-39(8-2,9-3)23-21-33-35-25-29-17-13-15-19-31(29)27-37(35)34(22-24-40(10-4,11-5)12-6)38-28-32-20-16-14-18-30(32)26-36(33)38/h13-20,25-28H,7-12H2,1-6H3.
What are the key properties of triethyl-[2-[13-(2-triethylsilylethynyl)pentacen-6-yl]ethynyl]silane?
triethyl-[2-[13-(2-triethylsilylethynyl)pentacen-6-yl]ethynyl]silane has a molecular weight of 554.93 g/mol, XLogP of 11.10, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[2-[13-(2-triethylsilylethynyl)pentacen-6-yl]ethynyl]silane is sourced from PubChem (CID 15530604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).