[4-bromo-5-(3-bromo-5-trimethylsilylthiophen-2-yl)thiophen-2-yl]-trimethylsilane;3,4-didodecoxy-5-methylaniline;[7-(3,4-didodecoxy-5-methylphenyl)-10-trimethylsilyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-trimethylsilane

C90H152Br2N2O4S4Si4 — CID 159328644

IUPAC[4-bromo-5-(3-bromo-5-trimethylsilylthiophen-2-yl)thiophen-2-yl]-trimethylsilane;3,4-didodecoxy-5-methylaniline;[7-(3,4-didodecoxy-5-methylphenyl)-10-trimethylsilyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-trimethylsilane
SMILESCCCCCCCCCCCCOc1cc(-n2c3cc([Si](C)(C)C)sc3c3sc([Si](C)(C)C)cc32)cc(C)c1OCCCCCCCCCCCC.CCCCCCCCCCCCOc1cc(N)cc(C)c1OCCCCCCCCCCCC.C[Si](C)(C)c1cc(Br)c(-c2sc([Si](C)(C)C)cc2Br)s1
InChIInChI=1S/C45H75NO2S2Si2.C31H57NO2.C14H20Br2S2Si2/c1-10-12-14-16-18-20-22-24-26-28-30-47-40-33-37(32-36(3)43(40)48-31-29-27-25-23-21-19-17-15-13-11-2)46-38-34-41(51(4,5)6)49-44(38)45-39(46)35-42(50-45)52(7,8)9;1-4-6-8-10-12-14-16-18-20-22-24-33-30-27-29(32)26-28(3)31(30)34-25-23-21-19-17-15-13-11-9-7-5-2;1-19(2,3)11-7-9(15)13(17-11)14-10(16)8-12(18-14)20(4,5)6/h32-35H,10-31H2,1-9H3;26-27H,4-25,32H2,1-3H3;7-8H,1-6H3
InChIKeyLERRKTOCXXHYAG-UHFFFAOYSA-N
MW1726.64 g/mol
LogP31.17
Rot. Bonds54

About [4-bromo-5-(3-bromo-5-trimethylsilylthiophen-2-yl)thiophen-2-yl]-trimethylsilane;3,4-didodecoxy-5-methylaniline;[7-(3,4-didodecoxy-5-methylphenyl)-10-trimethylsilyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-trimethylsilane

[4-bromo-5-(3-bromo-5-trimethylsilylthiophen-2-yl)thiophen-2-yl]-trimethylsilane;3,4-didodecoxy-5-methylaniline;[7-(3,4-didodecoxy-5-methylphenyl)-10-trimethylsilyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-trimethylsilane (PubChem CID 159328644) has the molecular formula C90H152Br2N2O4S4Si4 and a molecular weight of 1726.64 g/mol. Its IUPAC name is [4-bromo-5-(3-bromo-5-trimethylsilylthiophen-2-yl)thiophen-2-yl]-trimethylsilane;3,4-didodecoxy-5-methylaniline;[7-(3,4-didodecoxy-5-methylphenyl)-10-trimethylsilyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-trimethylsilane.

Molecular Properties

Compound Name[4-bromo-5-(3-bromo-5-trimethylsilylthiophen-2-yl)thiophen-2-yl]-trimethylsilane;3,4-didodecoxy-5-methylaniline;[7-(3,4-didodecoxy-5-methylphenyl)-10-trimethylsilyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-trimethylsilane
PubChem CID159328644
Molecular FormulaC90H152Br2N2O4S4Si4
Molecular Weight1726.64 g/mol
Exact Mass1722.81
IUPAC Name[4-bromo-5-(3-bromo-5-trimethylsilylthiophen-2-yl)thiophen-2-yl]-trimethylsilane;3,4-didodecoxy-5-methylaniline;[7-(3,4-didodecoxy-5-methylphenyl)-10-trimethylsilyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-trimethylsilane
SMILESCCCCCCCCCCCCOc1cc(-n2c3cc([Si](C)(C)C)sc3c3sc([Si](C)(C)C)cc32)cc(C)c1OCCCCCCCCCCCC.CCCCCCCCCCCCOc1cc(N)cc(C)c1OCCCCCCCCCCCC.C[Si](C)(C)c1cc(Br)c(-c2sc([Si](C)(C)C)cc2Br)s1
InChIInChI=1S/C45H75NO2S2Si2.C31H57NO2.C14H20Br2S2Si2/c1-10-12-14-16-18-20-22-24-26-28-30-47-40-33-37(32-36(3)43(40)48-31-29-27-25-23-21-19-17-15-13-11-2)46-38-34-41(51(4,5)6)49-44(38)45-39(46)35-42(50-45)52(7,8)9;1-4-6-8-10-12-14-16-18-20-22-24-33-30-27-29(32)26-28(3)31(30)34-25-23-21-19-17-15-13-11-9-7-5-2;1-19(2,3)11-7-9(15)13(17-11)14-10(16)8-12(18-14)20(4,5)6/h32-35H,10-31H2,1-9H3;26-27H,4-25,32H2,1-3H3;7-8H,1-6H3
InChIKeyLERRKTOCXXHYAG-UHFFFAOYSA-N
XLogP31.17
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds54
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001726.64
LogP ≤ 531.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze [4-bromo-5-(3-bromo-5-trimethylsilylthiophen-2-yl)thiophen-2-yl]-trimethylsilane;3,4-didodecoxy-5-methylaniline;[7-(3,4-didodecoxy-5-methylphenyl)-10-trimethylsilyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-trimethylsilane with MolForge

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Related Compounds

5-(bromomethyl)-1-methyl-2,3-dioctadecoxybenzene
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CID 71518344
3-hexadecoxy-4-methylaniline
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5-methyl-1,2,3-tri(undecoxy)benzene
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5-bromo-4-hexoxypyridin-2-amine
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1,2-dibromo-4,5-didecoxybenzene
CID 71339465
3,7-dibromo-2,8-dioctoxydibenzothiophene
CID 59835956
4,8-dioctoxythieno[2,3-f][1]benzothiole-2,6-dicarbaldehyde
CID 122234142
5-ethyl-1,2,3-triheptoxybenzene
CID 66940139
2,6,10-tribromo-3,7,11-trihexoxytriphenylene
CID 88922830
2,5-dibromo-3,4-di(icosoxy)thiophene
CID 141270733

Frequently Asked Questions

What is the IUPAC name of [4-bromo-5-(3-bromo-5-trimethylsilylthiophen-2-yl)thiophen-2-yl]-trimethylsilane;3,4-didodecoxy-5-methylaniline;[7-(3,4-didodecoxy-5-methylphenyl)-10-trimethylsilyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-trimethylsilane?
The IUPAC name of [4-bromo-5-(3-bromo-5-trimethylsilylthiophen-2-yl)thiophen-2-yl]-trimethylsilane;3,4-didodecoxy-5-methylaniline;[7-(3,4-didodecoxy-5-methylphenyl)-10-trimethylsilyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-trimethylsilane (CID 159328644) is [4-bromo-5-(3-bromo-5-trimethylsilylthiophen-2-yl)thiophen-2-yl]-trimethylsilane;3,4-didodecoxy-5-methylaniline;[7-(3,4-didodecoxy-5-methylphenyl)-10-trimethylsilyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-trimethylsilane.
What is the SMILES notation for [4-bromo-5-(3-bromo-5-trimethylsilylthiophen-2-yl)thiophen-2-yl]-trimethylsilane;3,4-didodecoxy-5-methylaniline;[7-(3,4-didodecoxy-5-methylphenyl)-10-trimethylsilyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-trimethylsilane?
The canonical SMILES for [4-bromo-5-(3-bromo-5-trimethylsilylthiophen-2-yl)thiophen-2-yl]-trimethylsilane;3,4-didodecoxy-5-methylaniline;[7-(3,4-didodecoxy-5-methylphenyl)-10-trimethylsilyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-trimethylsilane is CCCCCCCCCCCCOc1cc(-n2c3cc([Si](C)(C)C)sc3c3sc([Si](C)(C)C)cc32)cc(C)c1OCCCCCCCCCCCC.CCCCCCCCCCCCOc1cc(N)cc(C)c1OCCCCCCCCCCCC.C[Si](C)(C)c1cc(Br)c(-c2sc([Si](C)(C)C)cc2Br)s1.
What is the InChIKey of [4-bromo-5-(3-bromo-5-trimethylsilylthiophen-2-yl)thiophen-2-yl]-trimethylsilane;3,4-didodecoxy-5-methylaniline;[7-(3,4-didodecoxy-5-methylphenyl)-10-trimethylsilyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-trimethylsilane?
The InChIKey is LERRKTOCXXHYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H75NO2S2Si2.C31H57NO2.C14H20Br2S2Si2/c1-10-12-14-16-18-20-22-24-26-28-30-47-40-33-37(32-36(3)43(40)48-31-29-27-25-23-21-19-17-15-13-11-2)46-38-34-41(51(4,5)6)49-44(38)45-39(46)35-42(50-45)52(7,8)9;1-4-6-8-10-12-14-16-18-20-22-24-33-30-27-29(32)26-28(3)31(30)34-25-23-21-19-17-15-13-11-9-7-5-2;1-19(2,3)11-7-9(15)13(17-11)14-10(16)8-12(18-14)20(4,5)6/h32-35H,10-31H2,1-9H3;26-27H,4-25,32H2,1-3H3;7-8H,1-6H3.
What are the key properties of [4-bromo-5-(3-bromo-5-trimethylsilylthiophen-2-yl)thiophen-2-yl]-trimethylsilane;3,4-didodecoxy-5-methylaniline;[7-(3,4-didodecoxy-5-methylphenyl)-10-trimethylsilyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-trimethylsilane?
[4-bromo-5-(3-bromo-5-trimethylsilylthiophen-2-yl)thiophen-2-yl]-trimethylsilane;3,4-didodecoxy-5-methylaniline;[7-(3,4-didodecoxy-5-methylphenyl)-10-trimethylsilyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-trimethylsilane has a molecular weight of 1726.64 g/mol, XLogP of 31.17, 54 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-5-(3-bromo-5-trimethylsilylthiophen-2-yl)thiophen-2-yl]-trimethylsilane;3,4-didodecoxy-5-methylaniline;[7-(3,4-didodecoxy-5-methylphenyl)-10-trimethylsilyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-trimethylsilane is sourced from PubChem (CID 159328644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).