trimethyl-[2-[13-(2-trimethylsilylethynyl)pentacen-6-yl]ethynyl]silane

C32H30Si2 — CID 15530603

IUPACtrimethyl-[2-[13-(2-trimethylsilylethynyl)pentacen-6-yl]ethynyl]silane
SMILESC[Si](C)(C)C#Cc1c2cc3ccccc3cc2c(C#C[Si](C)(C)C)c2cc3ccccc3cc12
InChIInChI=1S/C32H30Si2/c1-33(2,3)17-15-27-29-19-23-11-7-9-13-25(23)21-31(29)28(16-18-34(4,5)6)32-22-26-14-10-8-12-24(26)20-30(27)32/h7-14,19-22H,1-6H3
InChIKeyMYKQRRZJBVVBMU-UHFFFAOYSA-N
MW470.76 g/mol
LogP8.76
Rot. Bonds

About trimethyl-[2-[13-(2-trimethylsilylethynyl)pentacen-6-yl]ethynyl]silane

trimethyl-[2-[13-(2-trimethylsilylethynyl)pentacen-6-yl]ethynyl]silane (PubChem CID 15530603) has the molecular formula C32H30Si2 and a molecular weight of 470.76 g/mol. Its IUPAC name is trimethyl-[2-[13-(2-trimethylsilylethynyl)pentacen-6-yl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[13-(2-trimethylsilylethynyl)pentacen-6-yl]ethynyl]silane
PubChem CID15530603
Molecular FormulaC32H30Si2
Molecular Weight470.76 g/mol
Exact Mass470.19
IUPAC Nametrimethyl-[2-[13-(2-trimethylsilylethynyl)pentacen-6-yl]ethynyl]silane
SMILESC[Si](C)(C)C#Cc1c2cc3ccccc3cc2c(C#C[Si](C)(C)C)c2cc3ccccc3cc12
InChIInChI=1S/C32H30Si2/c1-33(2,3)17-15-27-29-19-23-11-7-9-13-25(23)21-31(29)28(16-18-34(4,5)6)32-22-26-14-10-8-12-24(26)20-30(27)32/h7-14,19-22H,1-6H3
InChIKeyMYKQRRZJBVVBMU-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'}

Analyze trimethyl-[2-[13-(2-trimethylsilylethynyl)pentacen-6-yl]ethynyl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[13-(2-trimethylsilylethynyl)pentacen-6-yl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[13-(2-trimethylsilylethynyl)pentacen-6-yl]ethynyl]silane (CID 15530603) is trimethyl-[2-[13-(2-trimethylsilylethynyl)pentacen-6-yl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[13-(2-trimethylsilylethynyl)pentacen-6-yl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[13-(2-trimethylsilylethynyl)pentacen-6-yl]ethynyl]silane is C[Si](C)(C)C#Cc1c2cc3ccccc3cc2c(C#C[Si](C)(C)C)c2cc3ccccc3cc12.
What is the InChIKey of trimethyl-[2-[13-(2-trimethylsilylethynyl)pentacen-6-yl]ethynyl]silane?
The InChIKey is MYKQRRZJBVVBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30Si2/c1-33(2,3)17-15-27-29-19-23-11-7-9-13-25(23)21-31(29)28(16-18-34(4,5)6)32-22-26-14-10-8-12-24(26)20-30(27)32/h7-14,19-22H,1-6H3.
What are the key properties of trimethyl-[2-[13-(2-trimethylsilylethynyl)pentacen-6-yl]ethynyl]silane?
trimethyl-[2-[13-(2-trimethylsilylethynyl)pentacen-6-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-[13-(2-trimethylsilylethynyl)pentacen-6-yl]ethynyl]silane is sourced from PubChem (CID 15530603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).