Bis(phenylethynyl)diphenylsilane

C28H20Si — CID 5213428

IUPACdiphenyl-bis(2-phenylethynyl)silane
SMILESC1=CC=C(C=C1)C#C[Si](C#CC2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChIInChI=1S/C28H20Si/c1-5-13-25(14-6-1)21-23-29(27-17-9-3-10-18-27,28-19-11-4-12-20-28)24-22-26-15-7-2-8-16-26/h1-20H
InChIKeyBBVOORFIXBLFFX-UHFFFAOYSA-N
MW384.50 g/mol
LogP—
Rot. Bonds6

About Bis(phenylethynyl)diphenylsilane

Bis(phenylethynyl)diphenylsilane (PubChem CID 5213428) has the molecular formula C28H20Si and a molecular weight of 384.50 g/mol. Its IUPAC name is diphenyl-bis(2-phenylethynyl)silane.

Molecular Properties

Compound NameBis(phenylethynyl)diphenylsilane
PubChem CID5213428
Molecular FormulaC28H20Si
Molecular Weight384.50 g/mol
Exact Mass384.13
IUPAC Namediphenyl-bis(2-phenylethynyl)silane
SMILESC1=CC=C(C=C1)C#C[Si](C#CC2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChIInChI=1S/C28H20Si/c1-5-13-25(14-6-1)21-23-29(27-17-9-3-10-18-27,28-19-11-4-12-20-28)24-22-26-15-7-2-8-16-26/h1-20H
InChIKeyBBVOORFIXBLFFX-UHFFFAOYSA-N
XLogP—
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms29
Complexity567

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
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'}

Analyze Bis(phenylethynyl)diphenylsilane with MolForge

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

Launch Full Analysis

Related Compounds

Benzene, 1,1',1'',1'''-(1,3-butadiene-1,4-diylidene)tetrakis-
CID 74060
1,1',1'',1'''-Silanetetrayltetrakis(benzene)
CID 66104
Tetraphenylethylene
CID 69437
Triphenyl(phenylethynyl)phosphonium
CID 3492871
1,1,2,2-Tetraphenylethane
CID 136454
Benzene, 1,1',1''-[(chlorosilylidyne)tris(methylene)]tris-
CID 87774
Benzene, 1,1',1'',1'''-(1,2-propadiene-1,3-diylidene)tetrakis-
CID 74290
Tribenzylsilane
CID 284134
1,4-Bis(2-phenylethynyl)benzene
CID 624226
1,1,3,3-Tetraphenyl-1-propene
CID 4682176
Antineoplastic-131518
CID 11145223
Triphenyl(phenylmethyl)phosphonium
CID 70672

Frequently Asked Questions

What is the IUPAC name of Bis(phenylethynyl)diphenylsilane?
The IUPAC name of Bis(phenylethynyl)diphenylsilane (CID 5213428) is diphenyl-bis(2-phenylethynyl)silane.
What is the SMILES notation for Bis(phenylethynyl)diphenylsilane?
The canonical SMILES for Bis(phenylethynyl)diphenylsilane is C1=CC=C(C=C1)C#C[Si](C#CC2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.
What is the InChIKey of Bis(phenylethynyl)diphenylsilane?
The InChIKey is BBVOORFIXBLFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20Si/c1-5-13-25(14-6-1)21-23-29(27-17-9-3-10-18-27,28-19-11-4-12-20-28)24-22-26-15-7-2-8-16-26/h1-20H.
What are the key properties of Bis(phenylethynyl)diphenylsilane?
Bis(phenylethynyl)diphenylsilane has a molecular weight of 384.50 g/mol, XLogP of not available, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Bis(phenylethynyl)diphenylsilane is sourced from PubChem (CID 5213428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).