[4-bromo-5-[2-[2,5-dibromo-4-[2-[3-bromo-5-tri(propan-2-yl)silylthiophen-2-yl]ethynyl]phenyl]ethynyl]thiophen-2-yl]-tri(propan-2-yl)silane

C36H46Br4S2Si2 — CID 132512537

IUPAC[4-bromo-5-[2-[2,5-dibromo-4-[2-[3-bromo-5-tri(propan-2-yl)silylthiophen-2-yl]ethynyl]phenyl]ethynyl]thiophen-2-yl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](c1cc(Br)c(C#Cc2cc(Br)c(C#Cc3sc([Si](C(C)C)(C(C)C)C(C)C)cc3Br)cc2Br)s1)(C(C)C)C(C)C
InChIInChI=1S/C36H46Br4S2Si2/c1-21(2)43(22(3)4,23(5)6)35-19-31(39)33(41-35)15-13-27-17-30(38)28(18-29(27)37)14-16-34-32(40)20-36(42-34)44(24(7)8,25(9)10)26(11)12/h17-26H,1-12H3
InChIKeyMFDWUYYBWWLOTG-UHFFFAOYSA-N
MW918.69 g/mol
LogP13.43
Rot. Bonds8

About [4-bromo-5-[2-[2,5-dibromo-4-[2-[3-bromo-5-tri(propan-2-yl)silylthiophen-2-yl]ethynyl]phenyl]ethynyl]thiophen-2-yl]-tri(propan-2-yl)silane

[4-bromo-5-[2-[2,5-dibromo-4-[2-[3-bromo-5-tri(propan-2-yl)silylthiophen-2-yl]ethynyl]phenyl]ethynyl]thiophen-2-yl]-tri(propan-2-yl)silane (PubChem CID 132512537) has the molecular formula C36H46Br4S2Si2 and a molecular weight of 918.69 g/mol. Its IUPAC name is [4-bromo-5-[2-[2,5-dibromo-4-[2-[3-bromo-5-tri(propan-2-yl)silylthiophen-2-yl]ethynyl]phenyl]ethynyl]thiophen-2-yl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[4-bromo-5-[2-[2,5-dibromo-4-[2-[3-bromo-5-tri(propan-2-yl)silylthiophen-2-yl]ethynyl]phenyl]ethynyl]thiophen-2-yl]-tri(propan-2-yl)silane
PubChem CID132512537
Molecular FormulaC36H46Br4S2Si2
Molecular Weight918.69 g/mol
Exact Mass913.93
IUPAC Name[4-bromo-5-[2-[2,5-dibromo-4-[2-[3-bromo-5-tri(propan-2-yl)silylthiophen-2-yl]ethynyl]phenyl]ethynyl]thiophen-2-yl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](c1cc(Br)c(C#Cc2cc(Br)c(C#Cc3sc([Si](C(C)C)(C(C)C)C(C)C)cc3Br)cc2Br)s1)(C(C)C)C(C)C
InChIInChI=1S/C36H46Br4S2Si2/c1-21(2)43(22(3)4,23(5)6)35-19-31(39)33(41-35)15-13-27-17-30(38)28(18-29(27)37)14-16-34-32(40)20-36(42-34)44(24(7)8,25(9)10)26(11)12/h17-26H,1-12H3
InChIKeyMFDWUYYBWWLOTG-UHFFFAOYSA-N
XLogP13.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500918.69
LogP ≤ 513.43
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 [4-bromo-5-[2-[2,5-dibromo-4-[2-[3-bromo-5-tri(propan-2-yl)silylthiophen-2-yl]ethynyl]phenyl]ethynyl]thiophen-2-yl]-tri(propan-2-yl)silane?
The IUPAC name of [4-bromo-5-[2-[2,5-dibromo-4-[2-[3-bromo-5-tri(propan-2-yl)silylthiophen-2-yl]ethynyl]phenyl]ethynyl]thiophen-2-yl]-tri(propan-2-yl)silane (CID 132512537) is [4-bromo-5-[2-[2,5-dibromo-4-[2-[3-bromo-5-tri(propan-2-yl)silylthiophen-2-yl]ethynyl]phenyl]ethynyl]thiophen-2-yl]-tri(propan-2-yl)silane.
What is the SMILES notation for [4-bromo-5-[2-[2,5-dibromo-4-[2-[3-bromo-5-tri(propan-2-yl)silylthiophen-2-yl]ethynyl]phenyl]ethynyl]thiophen-2-yl]-tri(propan-2-yl)silane?
The canonical SMILES for [4-bromo-5-[2-[2,5-dibromo-4-[2-[3-bromo-5-tri(propan-2-yl)silylthiophen-2-yl]ethynyl]phenyl]ethynyl]thiophen-2-yl]-tri(propan-2-yl)silane is CC(C)[Si](c1cc(Br)c(C#Cc2cc(Br)c(C#Cc3sc([Si](C(C)C)(C(C)C)C(C)C)cc3Br)cc2Br)s1)(C(C)C)C(C)C.
What is the InChIKey of [4-bromo-5-[2-[2,5-dibromo-4-[2-[3-bromo-5-tri(propan-2-yl)silylthiophen-2-yl]ethynyl]phenyl]ethynyl]thiophen-2-yl]-tri(propan-2-yl)silane?
The InChIKey is MFDWUYYBWWLOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H46Br4S2Si2/c1-21(2)43(22(3)4,23(5)6)35-19-31(39)33(41-35)15-13-27-17-30(38)28(18-29(27)37)14-16-34-32(40)20-36(42-34)44(24(7)8,25(9)10)26(11)12/h17-26H,1-12H3.
What are the key properties of [4-bromo-5-[2-[2,5-dibromo-4-[2-[3-bromo-5-tri(propan-2-yl)silylthiophen-2-yl]ethynyl]phenyl]ethynyl]thiophen-2-yl]-tri(propan-2-yl)silane?
[4-bromo-5-[2-[2,5-dibromo-4-[2-[3-bromo-5-tri(propan-2-yl)silylthiophen-2-yl]ethynyl]phenyl]ethynyl]thiophen-2-yl]-tri(propan-2-yl)silane has a molecular weight of 918.69 g/mol, XLogP of 13.43, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-5-[2-[2,5-dibromo-4-[2-[3-bromo-5-tri(propan-2-yl)silylthiophen-2-yl]ethynyl]phenyl]ethynyl]thiophen-2-yl]-tri(propan-2-yl)silane is sourced from PubChem (CID 132512537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).