2-[2,6-dibromo-4-[2-tri(propan-2-yl)silylethynyl]thieno[2,3-f][1]benzothiol-8-yl]ethynyl-tri(propan-2-yl)silane

C32H44Br2S2Si2 — CID 58012939

IUPAC2-[2,6-dibromo-4-[2-tri(propan-2-yl)silylethynyl]thieno[2,3-f][1]benzothiol-8-yl]ethynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#Cc1c2cc(Br)sc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2cc(Br)sc12)(C(C)C)C(C)C
InChIInChI=1S/C32H44Br2S2Si2/c1-19(2)37(20(3)4,21(5)6)15-13-25-27-17-29(33)36-32(27)26(28-18-30(34)35-31(25)28)14-16-38(22(7)8,23(9)10)24(11)12/h17-24H,1-12H3
InChIKeyUFRVZCDLBUHFQN-UHFFFAOYSA-N
MW708.82 g/mol
LogP12.78
Rot. Bonds6

About 2-[2,6-dibromo-4-[2-tri(propan-2-yl)silylethynyl]thieno[2,3-f][1]benzothiol-8-yl]ethynyl-tri(propan-2-yl)silane

2-[2,6-dibromo-4-[2-tri(propan-2-yl)silylethynyl]thieno[2,3-f][1]benzothiol-8-yl]ethynyl-tri(propan-2-yl)silane (PubChem CID 58012939) has the molecular formula C32H44Br2S2Si2 and a molecular weight of 708.82 g/mol. Its IUPAC name is 2-[2,6-dibromo-4-[2-tri(propan-2-yl)silylethynyl]thieno[2,3-f][1]benzothiol-8-yl]ethynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-[2,6-dibromo-4-[2-tri(propan-2-yl)silylethynyl]thieno[2,3-f][1]benzothiol-8-yl]ethynyl-tri(propan-2-yl)silane
PubChem CID58012939
Molecular FormulaC32H44Br2S2Si2
Molecular Weight708.82 g/mol
Exact Mass706.08
IUPAC Name2-[2,6-dibromo-4-[2-tri(propan-2-yl)silylethynyl]thieno[2,3-f][1]benzothiol-8-yl]ethynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#Cc1c2cc(Br)sc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2cc(Br)sc12)(C(C)C)C(C)C
InChIInChI=1S/C32H44Br2S2Si2/c1-19(2)37(20(3)4,21(5)6)15-13-25-27-17-29(33)36-32(27)26(28-18-30(34)35-31(25)28)14-16-38(22(7)8,23(9)10)24(11)12/h17-24H,1-12H3
InChIKeyUFRVZCDLBUHFQN-UHFFFAOYSA-N
XLogP12.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.82
LogP ≤ 512.78
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dibromo-4-[2-tri(propan-2-yl)silylethynyl]thieno[2,3-f][1]benzothiol-8-yl]ethynyl-tri(propan-2-yl)silane?
The IUPAC name of 2-[2,6-dibromo-4-[2-tri(propan-2-yl)silylethynyl]thieno[2,3-f][1]benzothiol-8-yl]ethynyl-tri(propan-2-yl)silane (CID 58012939) is 2-[2,6-dibromo-4-[2-tri(propan-2-yl)silylethynyl]thieno[2,3-f][1]benzothiol-8-yl]ethynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 2-[2,6-dibromo-4-[2-tri(propan-2-yl)silylethynyl]thieno[2,3-f][1]benzothiol-8-yl]ethynyl-tri(propan-2-yl)silane?
The canonical SMILES for 2-[2,6-dibromo-4-[2-tri(propan-2-yl)silylethynyl]thieno[2,3-f][1]benzothiol-8-yl]ethynyl-tri(propan-2-yl)silane is CC(C)[Si](C#Cc1c2cc(Br)sc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2cc(Br)sc12)(C(C)C)C(C)C.
What is the InChIKey of 2-[2,6-dibromo-4-[2-tri(propan-2-yl)silylethynyl]thieno[2,3-f][1]benzothiol-8-yl]ethynyl-tri(propan-2-yl)silane?
The InChIKey is UFRVZCDLBUHFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44Br2S2Si2/c1-19(2)37(20(3)4,21(5)6)15-13-25-27-17-29(33)36-32(27)26(28-18-30(34)35-31(25)28)14-16-38(22(7)8,23(9)10)24(11)12/h17-24H,1-12H3.
What are the key properties of 2-[2,6-dibromo-4-[2-tri(propan-2-yl)silylethynyl]thieno[2,3-f][1]benzothiol-8-yl]ethynyl-tri(propan-2-yl)silane?
2-[2,6-dibromo-4-[2-tri(propan-2-yl)silylethynyl]thieno[2,3-f][1]benzothiol-8-yl]ethynyl-tri(propan-2-yl)silane has a molecular weight of 708.82 g/mol, XLogP of 12.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dibromo-4-[2-tri(propan-2-yl)silylethynyl]thieno[2,3-f][1]benzothiol-8-yl]ethynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 58012939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).