trimethyl-[2-(5-methylthiophen-2-yl)-5-[5-(5-methylthiophen-2-yl)-4-trimethylsilylthiophen-2-yl]thiophen-3-yl]silane

C72H90S12Si6 — CID 139117758

IUPACtrimethyl-[2-(5-methylthiophen-2-yl)-5-[5-(5-methylthiophen-2-yl)-4-trimethylsilylthiophen-2-yl]thiophen-3-yl]silane
SMILESCc1ccc(-c2sc(-c3cc([Si](C)(C)C)c(-c4ccc(C)s4)s3)cc2[Si](C)(C)C)s1.Cc1ccc(-c2sc(-c3cc([Si](C)(C)C)c(-c4ccc(C)s4)s3)cc2[Si](C)(C)C)s1.Cc1ccc(-c2sc(-c3cc([Si](C)(C)C)c(-c4ccc(C)s4)s3)cc2[Si](C)(C)C)s1
InChIInChI=1S/3C24H30S4Si2/c3*1-15-9-11-17(25-15)23-21(29(3,4)5)13-19(27-23)20-14-22(30(6,7)8)24(28-20)18-12-10-16(2)26-18/h3*9-14H,1-8H3
InChIKeyMZOGYIWUJMQKED-UHFFFAOYSA-N
MW1508.83 g/mol
LogP25.92
Rot. Bonds15

About trimethyl-[2-(5-methylthiophen-2-yl)-5-[5-(5-methylthiophen-2-yl)-4-trimethylsilylthiophen-2-yl]thiophen-3-yl]silane

trimethyl-[2-(5-methylthiophen-2-yl)-5-[5-(5-methylthiophen-2-yl)-4-trimethylsilylthiophen-2-yl]thiophen-3-yl]silane (PubChem CID 139117758) has the molecular formula C72H90S12Si6 and a molecular weight of 1508.83 g/mol. Its IUPAC name is trimethyl-[2-(5-methylthiophen-2-yl)-5-[5-(5-methylthiophen-2-yl)-4-trimethylsilylthiophen-2-yl]thiophen-3-yl]silane.

Molecular Properties

Compound Nametrimethyl-[2-(5-methylthiophen-2-yl)-5-[5-(5-methylthiophen-2-yl)-4-trimethylsilylthiophen-2-yl]thiophen-3-yl]silane
PubChem CID139117758
Molecular FormulaC72H90S12Si6
Molecular Weight1508.83 g/mol
Exact Mass1506.23
IUPAC Nametrimethyl-[2-(5-methylthiophen-2-yl)-5-[5-(5-methylthiophen-2-yl)-4-trimethylsilylthiophen-2-yl]thiophen-3-yl]silane
SMILESCc1ccc(-c2sc(-c3cc([Si](C)(C)C)c(-c4ccc(C)s4)s3)cc2[Si](C)(C)C)s1.Cc1ccc(-c2sc(-c3cc([Si](C)(C)C)c(-c4ccc(C)s4)s3)cc2[Si](C)(C)C)s1.Cc1ccc(-c2sc(-c3cc([Si](C)(C)C)c(-c4ccc(C)s4)s3)cc2[Si](C)(C)C)s1
InChIInChI=1S/3C24H30S4Si2/c3*1-15-9-11-17(25-15)23-21(29(3,4)5)13-19(27-23)20-14-22(30(6,7)8)24(28-20)18-12-10-16(2)26-18/h3*9-14H,1-8H3
InChIKeyMZOGYIWUJMQKED-UHFFFAOYSA-N
XLogP25.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001508.83
LogP ≤ 525.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-(5-methylthiophen-2-yl)-5-[5-(5-methylthiophen-2-yl)-4-trimethylsilylthiophen-2-yl]thiophen-3-yl]silane?
The IUPAC name of trimethyl-[2-(5-methylthiophen-2-yl)-5-[5-(5-methylthiophen-2-yl)-4-trimethylsilylthiophen-2-yl]thiophen-3-yl]silane (CID 139117758) is trimethyl-[2-(5-methylthiophen-2-yl)-5-[5-(5-methylthiophen-2-yl)-4-trimethylsilylthiophen-2-yl]thiophen-3-yl]silane.
What is the SMILES notation for trimethyl-[2-(5-methylthiophen-2-yl)-5-[5-(5-methylthiophen-2-yl)-4-trimethylsilylthiophen-2-yl]thiophen-3-yl]silane?
The canonical SMILES for trimethyl-[2-(5-methylthiophen-2-yl)-5-[5-(5-methylthiophen-2-yl)-4-trimethylsilylthiophen-2-yl]thiophen-3-yl]silane is Cc1ccc(-c2sc(-c3cc([Si](C)(C)C)c(-c4ccc(C)s4)s3)cc2[Si](C)(C)C)s1.Cc1ccc(-c2sc(-c3cc([Si](C)(C)C)c(-c4ccc(C)s4)s3)cc2[Si](C)(C)C)s1.Cc1ccc(-c2sc(-c3cc([Si](C)(C)C)c(-c4ccc(C)s4)s3)cc2[Si](C)(C)C)s1.
What is the InChIKey of trimethyl-[2-(5-methylthiophen-2-yl)-5-[5-(5-methylthiophen-2-yl)-4-trimethylsilylthiophen-2-yl]thiophen-3-yl]silane?
The InChIKey is MZOGYIWUJMQKED-UHFFFAOYSA-N. The full InChI is InChI=1S/3C24H30S4Si2/c3*1-15-9-11-17(25-15)23-21(29(3,4)5)13-19(27-23)20-14-22(30(6,7)8)24(28-20)18-12-10-16(2)26-18/h3*9-14H,1-8H3.
What are the key properties of trimethyl-[2-(5-methylthiophen-2-yl)-5-[5-(5-methylthiophen-2-yl)-4-trimethylsilylthiophen-2-yl]thiophen-3-yl]silane?
trimethyl-[2-(5-methylthiophen-2-yl)-5-[5-(5-methylthiophen-2-yl)-4-trimethylsilylthiophen-2-yl]thiophen-3-yl]silane has a molecular weight of 1508.83 g/mol, XLogP of 25.92, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(5-methylthiophen-2-yl)-5-[5-(5-methylthiophen-2-yl)-4-trimethylsilylthiophen-2-yl]thiophen-3-yl]silane is sourced from PubChem (CID 139117758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).