2-(12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,22-undecaen-7-yl)ethynyl-trimethylsilane

C27H20S2Si — CID 177481423

IUPAC2-(12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,22-undecaen-7-yl)ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1ccc2cc3c(cc2c1)sc1c2cc4ccccc4cc2sc31
InChIInChI=1S/C27H20S2Si/c1-30(2,3)11-10-17-8-9-20-14-23-25(16-21(20)12-17)29-26-22-13-18-6-4-5-7-19(18)15-24(22)28-27(23)26/h4-9,12-16H,1-3H3
InChIKeyOMYDJFXIAKEWRO-UHFFFAOYSA-N
MW436.68 g/mol
LogP8.80
Rot. Bonds

About 2-(12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,22-undecaen-7-yl)ethynyl-trimethylsilane

2-(12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,22-undecaen-7-yl)ethynyl-trimethylsilane (PubChem CID 177481423) has the molecular formula C27H20S2Si and a molecular weight of 436.68 g/mol. Its IUPAC name is 2-(12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,22-undecaen-7-yl)ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-(12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,22-undecaen-7-yl)ethynyl-trimethylsilane
PubChem CID177481423
Molecular FormulaC27H20S2Si
Molecular Weight436.68 g/mol
Exact Mass436.08
IUPAC Name2-(12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,22-undecaen-7-yl)ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1ccc2cc3c(cc2c1)sc1c2cc4ccccc4cc2sc31
InChIInChI=1S/C27H20S2Si/c1-30(2,3)11-10-17-8-9-20-14-23-25(16-21(20)12-17)29-26-22-13-18-6-4-5-7-19(18)15-24(22)28-27(23)26/h4-9,12-16H,1-3H3
InChIKeyOMYDJFXIAKEWRO-UHFFFAOYSA-N
XLogP8.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.68
LogP ≤ 58.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-(12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,22-undecaen-7-yl)ethynyl-trimethylsilane 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

2-(12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,22-undecaen-7-yl)ethynyl-tri(propan-2-yl)silane
CID 177420389
trimethyl(2-naphthalen-2-ylethynyl)silane
CID 12579656
trimethyl(2-phenanthren-2-ylethynyl)silane
CID 131953552
6-methyl-3,11-dithiapentacyclo[10.8.0.02,10.04,9.014,19]icosa-1(20),2(10),4(9),5,7,12,14,16,18-nonaene
CID 118333927
trimethyl(2-quinolin-7-ylethynyl)silane
CID 18931459
trimethyl(2-pentacen-1-ylethynyl)silane
CID 141150264
trimethyl-[2-[3-(2-trimethylsilylethynyl)pentacen-2-yl]ethynyl]silane
CID 90751559
8,22-dimethyl-3,15,27-trithiaheptacyclo[14.11.0.02,14.04,13.06,11.017,26.019,24]heptacosa-1(16),2(14),4(13),5,7,9,11,17(26),18,20,22,24-dodecaene
CID 126491862
7-(4-pyren-2-ylphenyl)-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,22-undecaene
CID 167351626
2-[7-[13-[9,10-dimethoxy-7-(2-trimethylsilylethynyl)phenanthren-2-yl]pentacen-6-yl]-9,10-dimethoxyphenanthren-2-yl]ethynyl-trimethylsilane
CID 162405850
13,15,27-trithiaheptacyclo[14.11.0.02,14.03,12.05,10.017,26.019,24]heptacosa-1(16),2(14),3,5,7,9,11,17,19,21,23,25-dodecaene
CID 71255913
1-[2-hydroxy-6-(2-trimethylsilylethynyl)naphthalen-1-yl]-6-(2-trimethylsilylethynyl)naphthalen-2-ol
CID 10939742

Frequently Asked Questions

What is the IUPAC name of 2-(12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,22-undecaen-7-yl)ethynyl-trimethylsilane?
The IUPAC name of 2-(12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,22-undecaen-7-yl)ethynyl-trimethylsilane (CID 177481423) is 2-(12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,22-undecaen-7-yl)ethynyl-trimethylsilane.
What is the SMILES notation for 2-(12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,22-undecaen-7-yl)ethynyl-trimethylsilane?
The canonical SMILES for 2-(12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,22-undecaen-7-yl)ethynyl-trimethylsilane is C[Si](C)(C)C#Cc1ccc2cc3c(cc2c1)sc1c2cc4ccccc4cc2sc31.
What is the InChIKey of 2-(12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,22-undecaen-7-yl)ethynyl-trimethylsilane?
The InChIKey is OMYDJFXIAKEWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20S2Si/c1-30(2,3)11-10-17-8-9-20-14-23-25(16-21(20)12-17)29-26-22-13-18-6-4-5-7-19(18)15-24(22)28-27(23)26/h4-9,12-16H,1-3H3.
What are the key properties of 2-(12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,22-undecaen-7-yl)ethynyl-trimethylsilane?
2-(12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,22-undecaen-7-yl)ethynyl-trimethylsilane has a molecular weight of 436.68 g/mol, XLogP of 8.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,22-undecaen-7-yl)ethynyl-trimethylsilane is sourced from PubChem (CID 177481423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).