tert-butyl-[6-[5-[4-[2-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]thieno[3,2-b]thiophen-5-yl]phenyl]thieno[3,2-b]thiophen-2-yl]hexoxy]-dimethylsilane;tert-butyl-dimethyl-[6-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[3,2-b]thiophen-5-yl]hexoxy]silane;1,4-dibromobenzene

C72H107BBr2O5S6Si3 — CID 158406788

IUPACtert-butyl-[6-[5-[4-[2-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]thieno[3,2-b]thiophen-5-yl]phenyl]thieno[3,2-b]thiophen-2-yl]hexoxy]-dimethylsilane;tert-butyl-dimethyl-[6-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[3,2-b]thiophen-5-yl]hexoxy]silane;1,4-dibromobenzene
SMILESBrc1ccc(Br)cc1.CC(C)(C)[Si](C)(C)OCCCCCCc1cc2sc(-c3ccc(-c4cc5sc(CCCCCCO[Si](C)(C)C(C)(C)C)cc5s4)cc3)cc2s1.CC1(C)OB(c2cc3sc(CCCCCCO[Si](C)(C)C(C)(C)C)cc3s2)OC1(C)C
InChIInChI=1S/C42H62O2S4Si2.C24H41BO3S2Si.C6H4Br2/c1-41(2,3)49(7,8)43-25-17-13-11-15-19-33-27-37-39(45-33)29-35(47-37)31-21-23-32(24-22-31)36-30-40-38(48-36)28-34(46-40)20-16-12-14-18-26-44-50(9,10)42(4,5)6;1-22(2,3)31(8,9)26-15-13-11-10-12-14-18-16-19-20(29-18)17-21(30-19)25-27-23(4,5)24(6,7)28-25;7-5-1-2-6(8)4-3-5/h21-24,27-30H,11-20,25-26H2,1-10H3;16-17H,10-15H2,1-9H3;1-4H
InChIKeyGYUMLVCULPCIFA-UHFFFAOYSA-N
MW1499.92 g/mol
LogP26.42
Rot. Bonds27

About tert-butyl-[6-[5-[4-[2-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]thieno[3,2-b]thiophen-5-yl]phenyl]thieno[3,2-b]thiophen-2-yl]hexoxy]-dimethylsilane;tert-butyl-dimethyl-[6-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[3,2-b]thiophen-5-yl]hexoxy]silane;1,4-dibromobenzene

tert-butyl-[6-[5-[4-[2-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]thieno[3,2-b]thiophen-5-yl]phenyl]thieno[3,2-b]thiophen-2-yl]hexoxy]-dimethylsilane;tert-butyl-dimethyl-[6-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[3,2-b]thiophen-5-yl]hexoxy]silane;1,4-dibromobenzene (PubChem CID 158406788) has the molecular formula C72H107BBr2O5S6Si3 and a molecular weight of 1499.92 g/mol. Its IUPAC name is tert-butyl-[6-[5-[4-[2-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]thieno[3,2-b]thiophen-5-yl]phenyl]thieno[3,2-b]thiophen-2-yl]hexoxy]-dimethylsilane;tert-butyl-dimethyl-[6-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[3,2-b]thiophen-5-yl]hexoxy]silane;1,4-dibromobenzene.

Molecular Properties

Compound Nametert-butyl-[6-[5-[4-[2-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]thieno[3,2-b]thiophen-5-yl]phenyl]thieno[3,2-b]thiophen-2-yl]hexoxy]-dimethylsilane;tert-butyl-dimethyl-[6-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[3,2-b]thiophen-5-yl]hexoxy]silane;1,4-dibromobenzene
PubChem CID158406788
Molecular FormulaC72H107BBr2O5S6Si3
Molecular Weight1499.92 g/mol
Exact Mass1496.42
IUPAC Nametert-butyl-[6-[5-[4-[2-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]thieno[3,2-b]thiophen-5-yl]phenyl]thieno[3,2-b]thiophen-2-yl]hexoxy]-dimethylsilane;tert-butyl-dimethyl-[6-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[3,2-b]thiophen-5-yl]hexoxy]silane;1,4-dibromobenzene
SMILESBrc1ccc(Br)cc1.CC(C)(C)[Si](C)(C)OCCCCCCc1cc2sc(-c3ccc(-c4cc5sc(CCCCCCO[Si](C)(C)C(C)(C)C)cc5s4)cc3)cc2s1.CC1(C)OB(c2cc3sc(CCCCCCO[Si](C)(C)C(C)(C)C)cc3s2)OC1(C)C
InChIInChI=1S/C42H62O2S4Si2.C24H41BO3S2Si.C6H4Br2/c1-41(2,3)49(7,8)43-25-17-13-11-15-19-33-27-37-39(45-33)29-35(47-37)31-21-23-32(24-22-31)36-30-40-38(48-36)28-34(46-40)20-16-12-14-18-26-44-50(9,10)42(4,5)6;1-22(2,3)31(8,9)26-15-13-11-10-12-14-18-16-19-20(29-18)17-21(30-19)25-27-23(4,5)24(6,7)28-25;7-5-1-2-6(8)4-3-5/h21-24,27-30H,11-20,25-26H2,1-10H3;16-17H,10-15H2,1-9H3;1-4H
InChIKeyGYUMLVCULPCIFA-UHFFFAOYSA-N
XLogP26.42
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds27
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001499.92
LogP ≤ 526.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze tert-butyl-[6-[5-[4-[2-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]thieno[3,2-b]thiophen-5-yl]phenyl]thieno[3,2-b]thiophen-2-yl]hexoxy]-dimethylsilane;tert-butyl-dimethyl-[6-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[3,2-b]thiophen-5-yl]hexoxy]silane;1,4-dibromobenzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[6-[5-[4-[2-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]thieno[3,2-b]thiophen-5-yl]phenyl]thieno[3,2-b]thiophen-2-yl]hexoxy]-dimethylsilane;tert-butyl-dimethyl-[6-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[3,2-b]thiophen-5-yl]hexoxy]silane;1,4-dibromobenzene?
The IUPAC name of tert-butyl-[6-[5-[4-[2-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]thieno[3,2-b]thiophen-5-yl]phenyl]thieno[3,2-b]thiophen-2-yl]hexoxy]-dimethylsilane;tert-butyl-dimethyl-[6-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[3,2-b]thiophen-5-yl]hexoxy]silane;1,4-dibromobenzene (CID 158406788) is tert-butyl-[6-[5-[4-[2-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]thieno[3,2-b]thiophen-5-yl]phenyl]thieno[3,2-b]thiophen-2-yl]hexoxy]-dimethylsilane;tert-butyl-dimethyl-[6-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[3,2-b]thiophen-5-yl]hexoxy]silane;1,4-dibromobenzene.
What is the SMILES notation for tert-butyl-[6-[5-[4-[2-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]thieno[3,2-b]thiophen-5-yl]phenyl]thieno[3,2-b]thiophen-2-yl]hexoxy]-dimethylsilane;tert-butyl-dimethyl-[6-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[3,2-b]thiophen-5-yl]hexoxy]silane;1,4-dibromobenzene?
The canonical SMILES for tert-butyl-[6-[5-[4-[2-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]thieno[3,2-b]thiophen-5-yl]phenyl]thieno[3,2-b]thiophen-2-yl]hexoxy]-dimethylsilane;tert-butyl-dimethyl-[6-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[3,2-b]thiophen-5-yl]hexoxy]silane;1,4-dibromobenzene is Brc1ccc(Br)cc1.CC(C)(C)[Si](C)(C)OCCCCCCc1cc2sc(-c3ccc(-c4cc5sc(CCCCCCO[Si](C)(C)C(C)(C)C)cc5s4)cc3)cc2s1.CC1(C)OB(c2cc3sc(CCCCCCO[Si](C)(C)C(C)(C)C)cc3s2)OC1(C)C.
What is the InChIKey of tert-butyl-[6-[5-[4-[2-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]thieno[3,2-b]thiophen-5-yl]phenyl]thieno[3,2-b]thiophen-2-yl]hexoxy]-dimethylsilane;tert-butyl-dimethyl-[6-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[3,2-b]thiophen-5-yl]hexoxy]silane;1,4-dibromobenzene?
The InChIKey is GYUMLVCULPCIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H62O2S4Si2.C24H41BO3S2Si.C6H4Br2/c1-41(2,3)49(7,8)43-25-17-13-11-15-19-33-27-37-39(45-33)29-35(47-37)31-21-23-32(24-22-31)36-30-40-38(48-36)28-34(46-40)20-16-12-14-18-26-44-50(9,10)42(4,5)6;1-22(2,3)31(8,9)26-15-13-11-10-12-14-18-16-19-20(29-18)17-21(30-19)25-27-23(4,5)24(6,7)28-25;7-5-1-2-6(8)4-3-5/h21-24,27-30H,11-20,25-26H2,1-10H3;16-17H,10-15H2,1-9H3;1-4H.
What are the key properties of tert-butyl-[6-[5-[4-[2-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]thieno[3,2-b]thiophen-5-yl]phenyl]thieno[3,2-b]thiophen-2-yl]hexoxy]-dimethylsilane;tert-butyl-dimethyl-[6-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[3,2-b]thiophen-5-yl]hexoxy]silane;1,4-dibromobenzene?
tert-butyl-[6-[5-[4-[2-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]thieno[3,2-b]thiophen-5-yl]phenyl]thieno[3,2-b]thiophen-2-yl]hexoxy]-dimethylsilane;tert-butyl-dimethyl-[6-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[3,2-b]thiophen-5-yl]hexoxy]silane;1,4-dibromobenzene has a molecular weight of 1499.92 g/mol, XLogP of 26.42, 27 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[6-[5-[4-[2-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]thieno[3,2-b]thiophen-5-yl]phenyl]thieno[3,2-b]thiophen-2-yl]hexoxy]-dimethylsilane;tert-butyl-dimethyl-[6-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[3,2-b]thiophen-5-yl]hexoxy]silane;1,4-dibromobenzene is sourced from PubChem (CID 158406788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).