trimethyl(2-pentacen-1-ylethynyl)silane

C27H22Si — CID 141150264

IUPACtrimethyl(2-pentacen-1-ylethynyl)silane
SMILESC[Si](C)(C)C#Cc1cccc2cc3cc4cc5ccccc5cc4cc3cc12
InChIInChI=1S/C27H22Si/c1-28(2,3)12-11-19-9-6-10-22-15-25-16-23-13-20-7-4-5-8-21(20)14-24(23)17-26(25)18-27(19)22/h4-10,13-18H,1-3H3
InChIKeySJUSTEDELQBUOL-UHFFFAOYSA-N
MW374.56 g/mol
LogP7.53
Rot. Bonds

About trimethyl(2-pentacen-1-ylethynyl)silane

trimethyl(2-pentacen-1-ylethynyl)silane (PubChem CID 141150264) has the molecular formula C27H22Si and a molecular weight of 374.56 g/mol. Its IUPAC name is trimethyl(2-pentacen-1-ylethynyl)silane.

Molecular Properties

Compound Nametrimethyl(2-pentacen-1-ylethynyl)silane
PubChem CID141150264
Molecular FormulaC27H22Si
Molecular Weight374.56 g/mol
Exact Mass374.15
IUPAC Nametrimethyl(2-pentacen-1-ylethynyl)silane
SMILESC[Si](C)(C)C#Cc1cccc2cc3cc4cc5ccccc5cc4cc3cc12
InChIInChI=1S/C27H22Si/c1-28(2,3)12-11-19-9-6-10-22-15-25-16-23-13-20-7-4-5-8-21(20)14-24(23)17-26(25)18-27(19)22/h4-10,13-18H,1-3H3
InChIKeySJUSTEDELQBUOL-UHFFFAOYSA-N
XLogP7.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.56
LogP ≤ 57.53
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-pentacen-1-ylethynyl)silane 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

trimethyl-[2-[3-(2-trimethylsilylethynyl)pentacen-2-yl]ethynyl]silane
CID 90751559
1-ethynylpentacene;2-pentacen-1-ylethynyl-tri(propan-2-yl)silane
CID 162196732
trimethyl-[2-[1-methyl-13-(2-trimethylsilylethynyl)pentacen-6-yl]ethynyl]silane
CID 59775484
CID 174880137
CID 174880137
1-[2-(4-methoxyphenyl)ethynyl]anthracene
CID 12635754
anthracene-1-carbonitrile
CID 3036603
1,8-bis(prop-1-ynyl)anthracene
CID 122211067
2-[10-methoxy-8-(2-trimethylsilylethynyl)anthracen-1-yl]ethynyl-trimethylsilane
CID 139256605
2-chrysen-5-yl(1,2-13C2)ethynyl(trimethyl)silane
CID 66552882
trimethyl-[2-[2-naphthalen-1-yl-3-[2-(2-trimethylsilylethynyl)azulen-1-yl]phenyl]ethynyl]silane
CID 164676030
tri(propan-2-yl)-[2-[8-[8-[8-[2-tri(propan-2-yl)silylethynyl]anthracen-1-yl]anthracen-1-yl]anthracen-1-yl]ethynyl]silane
CID 101376385
1,8-bis(2-bromoethynyl)anthracene
CID 71401703

Frequently Asked Questions

What is the IUPAC name of trimethyl(2-pentacen-1-ylethynyl)silane?
The IUPAC name of trimethyl(2-pentacen-1-ylethynyl)silane (CID 141150264) is trimethyl(2-pentacen-1-ylethynyl)silane.
What is the SMILES notation for trimethyl(2-pentacen-1-ylethynyl)silane?
The canonical SMILES for trimethyl(2-pentacen-1-ylethynyl)silane is C[Si](C)(C)C#Cc1cccc2cc3cc4cc5ccccc5cc4cc3cc12.
What is the InChIKey of trimethyl(2-pentacen-1-ylethynyl)silane?
The InChIKey is SJUSTEDELQBUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22Si/c1-28(2,3)12-11-19-9-6-10-22-15-25-16-23-13-20-7-4-5-8-21(20)14-24(23)17-26(25)18-27(19)22/h4-10,13-18H,1-3H3.
What are the key properties of trimethyl(2-pentacen-1-ylethynyl)silane?
trimethyl(2-pentacen-1-ylethynyl)silane has a molecular weight of 374.56 g/mol, XLogP of 7.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(2-pentacen-1-ylethynyl)silane is sourced from PubChem (CID 141150264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).