trimethyl-[2-[3,6,8-tris(2-trimethylsilylethynyl)pyren-1-yl]ethynyl]silane

C36H42Si4 — CID 11657194

IUPACtrimethyl-[2-[3,6,8-tris(2-trimethylsilylethynyl)pyren-1-yl]ethynyl]silane
SMILESC[Si](C)(C)C#Cc1cc(C#C[Si](C)(C)C)c2ccc3c(C#C[Si](C)(C)C)cc(C#C[Si](C)(C)C)c4ccc1c2c43
InChIInChI=1S/C36H42Si4/c1-37(2,3)21-17-27-25-28(18-22-38(4,5)6)32-15-16-34-30(20-24-40(10,11)12)26-29(19-23-39(7,8)9)33-14-13-31(27)35(32)36(33)34/h13-16,25-26H,1-12H3
InChIKeyBWAJBGHVRXIVFZ-UHFFFAOYSA-N
MW587.08 g/mol
LogP9.50
Rot. Bonds

About trimethyl-[2-[3,6,8-tris(2-trimethylsilylethynyl)pyren-1-yl]ethynyl]silane

trimethyl-[2-[3,6,8-tris(2-trimethylsilylethynyl)pyren-1-yl]ethynyl]silane (PubChem CID 11657194) has the molecular formula C36H42Si4 and a molecular weight of 587.08 g/mol. Its IUPAC name is trimethyl-[2-[3,6,8-tris(2-trimethylsilylethynyl)pyren-1-yl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[3,6,8-tris(2-trimethylsilylethynyl)pyren-1-yl]ethynyl]silane
PubChem CID11657194
Molecular FormulaC36H42Si4
Molecular Weight587.08 g/mol
Exact Mass586.24
IUPAC Nametrimethyl-[2-[3,6,8-tris(2-trimethylsilylethynyl)pyren-1-yl]ethynyl]silane
SMILESC[Si](C)(C)C#Cc1cc(C#C[Si](C)(C)C)c2ccc3c(C#C[Si](C)(C)C)cc(C#C[Si](C)(C)C)c4ccc1c2c43
InChIInChI=1S/C36H42Si4/c1-37(2,3)21-17-27-25-28(18-22-38(4,5)6)32-15-16-34-30(20-24-40(10,11)12)26-29(19-23-39(7,8)9)33-14-13-31(27)35(32)36(33)34/h13-16,25-26H,1-12H3
InChIKeyBWAJBGHVRXIVFZ-UHFFFAOYSA-N
XLogP9.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.08
LogP ≤ 59.50
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_3', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[3,6,8-tris(2-trimethylsilylethynyl)pyren-1-yl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[3,6,8-tris(2-trimethylsilylethynyl)pyren-1-yl]ethynyl]silane (CID 11657194) is trimethyl-[2-[3,6,8-tris(2-trimethylsilylethynyl)pyren-1-yl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[3,6,8-tris(2-trimethylsilylethynyl)pyren-1-yl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[3,6,8-tris(2-trimethylsilylethynyl)pyren-1-yl]ethynyl]silane is C[Si](C)(C)C#Cc1cc(C#C[Si](C)(C)C)c2ccc3c(C#C[Si](C)(C)C)cc(C#C[Si](C)(C)C)c4ccc1c2c43.
What is the InChIKey of trimethyl-[2-[3,6,8-tris(2-trimethylsilylethynyl)pyren-1-yl]ethynyl]silane?
The InChIKey is BWAJBGHVRXIVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H42Si4/c1-37(2,3)21-17-27-25-28(18-22-38(4,5)6)32-15-16-34-30(20-24-40(10,11)12)26-29(19-23-39(7,8)9)33-14-13-31(27)35(32)36(33)34/h13-16,25-26H,1-12H3.
What are the key properties of trimethyl-[2-[3,6,8-tris(2-trimethylsilylethynyl)pyren-1-yl]ethynyl]silane?
trimethyl-[2-[3,6,8-tris(2-trimethylsilylethynyl)pyren-1-yl]ethynyl]silane has a molecular weight of 587.08 g/mol, XLogP of 9.50, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[3,6,8-tris(2-trimethylsilylethynyl)pyren-1-yl]ethynyl]silane is sourced from PubChem (CID 11657194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).