5-[5-[2,5-bis[5-[methyl-bis(trimethylsilyloxy)silyl]pentyl]-3,6-dioxo-1-thiophen-2-ylpyrrolo[3,4-c]pyrrol-4-yl]thiophen-2-yl]thiophene-2-carbaldehyde;5-[5-[4-(5-bromothiophen-2-yl)-2,5-bis[5-[methyl-bis(trimethylsilyloxy)silyl]pentyl]-3,6-dioxopyrrolo[3,4-c]pyrrol-1-yl]thiophen-2-yl]thiophene-2-carbaldehyde

C86H139BrN4O14S6Si12 — CID 169424321

IUPAC5-[5-[2,5-bis[5-[methyl-bis(trimethylsilyloxy)silyl]pentyl]-3,6-dioxo-1-thiophen-2-ylpyrrolo[3,4-c]pyrrol-4-yl]thiophen-2-yl]thiophene-2-carbaldehyde;5-[5-[4-(5-bromothiophen-2-yl)-2,5-bis[5-[methyl-bis(trimethylsilyloxy)silyl]pentyl]-3,6-dioxopyrrolo[3,4-c]pyrrol-1-yl]thiophen-2-yl]thiophene-2-carbaldehyde
SMILESC[Si](C)(C)O[Si](C)(CCCCCN1C(=O)C2=C(c3ccc(-c4ccc(C=O)s4)s3)N(CCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)C2=C1c1ccc(Br)s1)O[Si](C)(C)C.C[Si](C)(C)O[Si](C)(CCCCCN1C(=O)C2=C(c3ccc(-c4ccc(C=O)s4)s3)N(CCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)C2=C1c1cccs1)O[Si](C)(C)C
InChIInChI=1S/C43H69BrN2O7S3Si6.C43H70N2O7S3Si6/c1-57(2,3)50-61(13,51-58(4,5)6)29-19-15-17-27-45-40(35-24-23-34(55-35)33-22-21-32(31-47)54-33)38-39(43(45)49)41(36-25-26-37(44)56-36)46(42(38)48)28-18-16-20-30-62(14,52-59(7,8)9)53-60(10,11)12;1-56(2,3)49-60(13,50-57(4,5)6)30-19-15-17-27-44-40(36-22-21-29-53-36)38-39(43(44)48)41(37-26-25-35(55-37)34-24-23-33(32-46)54-34)45(42(38)47)28-18-16-20-31-61(14,51-58(7,8)9)52-59(10,11)12/h21-26,31H,15-20,27-30H2,1-14H3;21-26,29,32H,15-20,27-28,30-31H2,1-14H3
InChIKeyCECUFHCRVGPCAG-UHFFFAOYSA-N
MW2062.41 g/mol
LogP26.86
Rot. Bonds48

About 5-[5-[2,5-bis[5-[methyl-bis(trimethylsilyloxy)silyl]pentyl]-3,6-dioxo-1-thiophen-2-ylpyrrolo[3,4-c]pyrrol-4-yl]thiophen-2-yl]thiophene-2-carbaldehyde;5-[5-[4-(5-bromothiophen-2-yl)-2,5-bis[5-[methyl-bis(trimethylsilyloxy)silyl]pentyl]-3,6-dioxopyrrolo[3,4-c]pyrrol-1-yl]thiophen-2-yl]thiophene-2-carbaldehyde

5-[5-[2,5-bis[5-[methyl-bis(trimethylsilyloxy)silyl]pentyl]-3,6-dioxo-1-thiophen-2-ylpyrrolo[3,4-c]pyrrol-4-yl]thiophen-2-yl]thiophene-2-carbaldehyde;5-[5-[4-(5-bromothiophen-2-yl)-2,5-bis[5-[methyl-bis(trimethylsilyloxy)silyl]pentyl]-3,6-dioxopyrrolo[3,4-c]pyrrol-1-yl]thiophen-2-yl]thiophene-2-carbaldehyde (PubChem CID 169424321) has the molecular formula C86H139BrN4O14S6Si12 and a molecular weight of 2062.41 g/mol. Its IUPAC name is 5-[5-[2,5-bis[5-[methyl-bis(trimethylsilyloxy)silyl]pentyl]-3,6-dioxo-1-thiophen-2-ylpyrrolo[3,4-c]pyrrol-4-yl]thiophen-2-yl]thiophene-2-carbaldehyde;5-[5-[4-(5-bromothiophen-2-yl)-2,5-bis[5-[methyl-bis(trimethylsilyloxy)silyl]pentyl]-3,6-dioxopyrrolo[3,4-c]pyrrol-1-yl]thiophen-2-yl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[5-[2,5-bis[5-[methyl-bis(trimethylsilyloxy)silyl]pentyl]-3,6-dioxo-1-thiophen-2-ylpyrrolo[3,4-c]pyrrol-4-yl]thiophen-2-yl]thiophene-2-carbaldehyde;5-[5-[4-(5-bromothiophen-2-yl)-2,5-bis[5-[methyl-bis(trimethylsilyloxy)silyl]pentyl]-3,6-dioxopyrrolo[3,4-c]pyrrol-1-yl]thiophen-2-yl]thiophene-2-carbaldehyde
PubChem CID169424321
Molecular FormulaC86H139BrN4O14S6Si12
Molecular Weight2062.41 g/mol
Exact Mass2058.50
IUPAC Name5-[5-[2,5-bis[5-[methyl-bis(trimethylsilyloxy)silyl]pentyl]-3,6-dioxo-1-thiophen-2-ylpyrrolo[3,4-c]pyrrol-4-yl]thiophen-2-yl]thiophene-2-carbaldehyde;5-[5-[4-(5-bromothiophen-2-yl)-2,5-bis[5-[methyl-bis(trimethylsilyloxy)silyl]pentyl]-3,6-dioxopyrrolo[3,4-c]pyrrol-1-yl]thiophen-2-yl]thiophene-2-carbaldehyde
SMILESC[Si](C)(C)O[Si](C)(CCCCCN1C(=O)C2=C(c3ccc(-c4ccc(C=O)s4)s3)N(CCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)C2=C1c1ccc(Br)s1)O[Si](C)(C)C.C[Si](C)(C)O[Si](C)(CCCCCN1C(=O)C2=C(c3ccc(-c4ccc(C=O)s4)s3)N(CCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)C2=C1c1cccs1)O[Si](C)(C)C
InChIInChI=1S/C43H69BrN2O7S3Si6.C43H70N2O7S3Si6/c1-57(2,3)50-61(13,51-58(4,5)6)29-19-15-17-27-45-40(35-24-23-34(55-35)33-22-21-32(31-47)54-33)38-39(43(45)49)41(36-25-26-37(44)56-36)46(42(38)48)28-18-16-20-30-62(14,52-59(7,8)9)53-60(10,11)12;1-56(2,3)49-60(13,50-57(4,5)6)30-19-15-17-27-44-40(36-22-21-29-53-36)38-39(43(44)48)41(37-26-25-35(55-37)34-24-23-33(32-46)54-34)45(42(38)47)28-18-16-20-31-61(14,51-58(7,8)9)52-59(10,11)12/h21-26,31H,15-20,27-30H2,1-14H3;21-26,29,32H,15-20,27-28,30-31H2,1-14H3
InChIKeyCECUFHCRVGPCAG-UHFFFAOYSA-N
XLogP26.86
TPSA189.22 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds48
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002062.41
LogP ≤ 526.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 5-[5-[2,5-bis[5-[methyl-bis(trimethylsilyloxy)silyl]pentyl]-3,6-dioxo-1-thiophen-2-ylpyrrolo[3,4-c]pyrrol-4-yl]thiophen-2-yl]thiophene-2-carbaldehyde;5-[5-[4-(5-bromothiophen-2-yl)-2,5-bis[5-[methyl-bis(trimethylsilyloxy)silyl]pentyl]-3,6-dioxopyrrolo[3,4-c]pyrrol-1-yl]thiophen-2-yl]thiophene-2-carbaldehyde with MolForge

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Related Compounds

2,5-bis[8-[dimethyl(trimethylsilyloxy)silyl]octyl]-4-(5-propan-2-ylthiophen-2-yl)-1-[5-(5-propan-2-ylthiophen-2-yl)thiophen-2-yl]pyrrolo[3,4-c]pyrrole-3,6-dione
CID 140673608
2,5-dihexyl-1,4-bis(5-methylthiophen-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dihexyl-1,4-dithiophen-2-ylpyrrolo[3,4-c]pyrrole-3,6-dione;trichloroiron
CID 160767384
4-(5-bromothiophen-2-yl)-5-(2-hexyldecyl)-2-(2-hexylnonyl)-1-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]pyrrolo[3,4-c]pyrrole-3,6-dione
CID 123572038
2,5-bis[3-bis(trimethylsilyloxy)silylpropyl]-1,4-dithiophen-2-ylpyrrolo[3,4-c]pyrrole-3,6-dione;2,5-bis[3-[dimethyl(phenyl)silyl]propyl]-1,4-bis[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]pyrrolo[3,4-c]pyrrole-3,6-dione;1,4-bis[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-2,5-bis(3-trimethylsilylpropyl)pyrrolo[3,4-c]pyrrole-3,6-dione;1,4-bis[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-2,5-bis[3-tri(propan-2-yl)silylpropyl]pyrrolo[3,4-c]pyrrole-3,6-dione
CID 159905991
2,5-bis(hex-5-ynyl)-1,4-dithiophen-2-ylpyrrolo[3,4-c]pyrrole-3,6-dione
CID 171616574
2,5-bis(2-octyldodecyl)-1-thiophen-2-yl-4-[5-[5-[(E)-2-thiophen-2-ylethenyl]thiophen-2-yl]thiophen-2-yl]pyrrolo[3,4-c]pyrrole-3,6-dione
CID 102363279
5-[3-(5-bromothiophen-2-yl)-5-hexyl-4,6-dioxothieno[3,4-c]pyrrol-1-yl]thiophene-2-carbaldehyde
CID 139258109
1,4-bis[4-[5-[2,5-bis(2-ethylhexyl)-3,6-dioxo-1-thiophen-2-ylpyrrolo[3,4-c]pyrrol-4-yl]thiophen-2-yl]phenyl]-2,5-dihexylpyrrolo[3,4-c]pyrrole-3,6-dione
CID 102113352
1,4-bis(5-bromothiophen-2-yl)-2,5-diethylpyrrolo[3,4-c]pyrrole-3,6-dione
CID 90363231
1,4-bis(5-bromothiophen-2-yl)-2,5-bis(2-hexyldecyl)pyrrolo[3,4-c]pyrrole-3,6-dione;4-(5-bromothiophen-2-yl)-2,5-bis(2-hexyldecyl)-1-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]pyrrolo[3,4-c]pyrrole-3,6-dione;4,4,5,5-tetramethyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,3,2-dioxaborolane
CID 159579785
4-[5-[5-[(E)-2-[5-[4-[5-[(E)-2-[5-[5-[2,5-bis(2-ethylhexyl)-3,6-dioxo-1-thiophen-2-ylpyrrolo[3,4-c]pyrrol-4-yl]thiophen-2-yl]thiophen-2-yl]ethenyl]thiophen-2-yl]-2,6-dibromothieno[2,3-f][1]benzothiol-8-yl]thiophen-2-yl]ethenyl]thiophen-2-yl]thiophen-2-yl]-2,5-bis(2-ethylhexyl)-1-thiophen-2-ylpyrrolo[3,4-c]pyrrole-3,6-dione
CID 132500339
2,5-dimethyl-1,4-bis[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]pyrrolo[3,4-c]pyrrole-3,6-dione;iodomethane
CID 158603850

Frequently Asked Questions

What is the IUPAC name of 5-[5-[2,5-bis[5-[methyl-bis(trimethylsilyloxy)silyl]pentyl]-3,6-dioxo-1-thiophen-2-ylpyrrolo[3,4-c]pyrrol-4-yl]thiophen-2-yl]thiophene-2-carbaldehyde;5-[5-[4-(5-bromothiophen-2-yl)-2,5-bis[5-[methyl-bis(trimethylsilyloxy)silyl]pentyl]-3,6-dioxopyrrolo[3,4-c]pyrrol-1-yl]thiophen-2-yl]thiophene-2-carbaldehyde?
The IUPAC name of 5-[5-[2,5-bis[5-[methyl-bis(trimethylsilyloxy)silyl]pentyl]-3,6-dioxo-1-thiophen-2-ylpyrrolo[3,4-c]pyrrol-4-yl]thiophen-2-yl]thiophene-2-carbaldehyde;5-[5-[4-(5-bromothiophen-2-yl)-2,5-bis[5-[methyl-bis(trimethylsilyloxy)silyl]pentyl]-3,6-dioxopyrrolo[3,4-c]pyrrol-1-yl]thiophen-2-yl]thiophene-2-carbaldehyde (CID 169424321) is 5-[5-[2,5-bis[5-[methyl-bis(trimethylsilyloxy)silyl]pentyl]-3,6-dioxo-1-thiophen-2-ylpyrrolo[3,4-c]pyrrol-4-yl]thiophen-2-yl]thiophene-2-carbaldehyde;5-[5-[4-(5-bromothiophen-2-yl)-2,5-bis[5-[methyl-bis(trimethylsilyloxy)silyl]pentyl]-3,6-dioxopyrrolo[3,4-c]pyrrol-1-yl]thiophen-2-yl]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-[5-[2,5-bis[5-[methyl-bis(trimethylsilyloxy)silyl]pentyl]-3,6-dioxo-1-thiophen-2-ylpyrrolo[3,4-c]pyrrol-4-yl]thiophen-2-yl]thiophene-2-carbaldehyde;5-[5-[4-(5-bromothiophen-2-yl)-2,5-bis[5-[methyl-bis(trimethylsilyloxy)silyl]pentyl]-3,6-dioxopyrrolo[3,4-c]pyrrol-1-yl]thiophen-2-yl]thiophene-2-carbaldehyde?
The canonical SMILES for 5-[5-[2,5-bis[5-[methyl-bis(trimethylsilyloxy)silyl]pentyl]-3,6-dioxo-1-thiophen-2-ylpyrrolo[3,4-c]pyrrol-4-yl]thiophen-2-yl]thiophene-2-carbaldehyde;5-[5-[4-(5-bromothiophen-2-yl)-2,5-bis[5-[methyl-bis(trimethylsilyloxy)silyl]pentyl]-3,6-dioxopyrrolo[3,4-c]pyrrol-1-yl]thiophen-2-yl]thiophene-2-carbaldehyde is C[Si](C)(C)O[Si](C)(CCCCCN1C(=O)C2=C(c3ccc(-c4ccc(C=O)s4)s3)N(CCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)C2=C1c1ccc(Br)s1)O[Si](C)(C)C.C[Si](C)(C)O[Si](C)(CCCCCN1C(=O)C2=C(c3ccc(-c4ccc(C=O)s4)s3)N(CCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)C2=C1c1cccs1)O[Si](C)(C)C.
What is the InChIKey of 5-[5-[2,5-bis[5-[methyl-bis(trimethylsilyloxy)silyl]pentyl]-3,6-dioxo-1-thiophen-2-ylpyrrolo[3,4-c]pyrrol-4-yl]thiophen-2-yl]thiophene-2-carbaldehyde;5-[5-[4-(5-bromothiophen-2-yl)-2,5-bis[5-[methyl-bis(trimethylsilyloxy)silyl]pentyl]-3,6-dioxopyrrolo[3,4-c]pyrrol-1-yl]thiophen-2-yl]thiophene-2-carbaldehyde?
The InChIKey is CECUFHCRVGPCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H69BrN2O7S3Si6.C43H70N2O7S3Si6/c1-57(2,3)50-61(13,51-58(4,5)6)29-19-15-17-27-45-40(35-24-23-34(55-35)33-22-21-32(31-47)54-33)38-39(43(45)49)41(36-25-26-37(44)56-36)46(42(38)48)28-18-16-20-30-62(14,52-59(7,8)9)53-60(10,11)12;1-56(2,3)49-60(13,50-57(4,5)6)30-19-15-17-27-44-40(36-22-21-29-53-36)38-39(43(44)48)41(37-26-25-35(55-37)34-24-23-33(32-46)54-34)45(42(38)47)28-18-16-20-31-61(14,51-58(7,8)9)52-59(10,11)12/h21-26,31H,15-20,27-30H2,1-14H3;21-26,29,32H,15-20,27-28,30-31H2,1-14H3.
What are the key properties of 5-[5-[2,5-bis[5-[methyl-bis(trimethylsilyloxy)silyl]pentyl]-3,6-dioxo-1-thiophen-2-ylpyrrolo[3,4-c]pyrrol-4-yl]thiophen-2-yl]thiophene-2-carbaldehyde;5-[5-[4-(5-bromothiophen-2-yl)-2,5-bis[5-[methyl-bis(trimethylsilyloxy)silyl]pentyl]-3,6-dioxopyrrolo[3,4-c]pyrrol-1-yl]thiophen-2-yl]thiophene-2-carbaldehyde?
5-[5-[2,5-bis[5-[methyl-bis(trimethylsilyloxy)silyl]pentyl]-3,6-dioxo-1-thiophen-2-ylpyrrolo[3,4-c]pyrrol-4-yl]thiophen-2-yl]thiophene-2-carbaldehyde;5-[5-[4-(5-bromothiophen-2-yl)-2,5-bis[5-[methyl-bis(trimethylsilyloxy)silyl]pentyl]-3,6-dioxopyrrolo[3,4-c]pyrrol-1-yl]thiophen-2-yl]thiophene-2-carbaldehyde has a molecular weight of 2062.41 g/mol, XLogP of 26.86, 48 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[2,5-bis[5-[methyl-bis(trimethylsilyloxy)silyl]pentyl]-3,6-dioxo-1-thiophen-2-ylpyrrolo[3,4-c]pyrrol-4-yl]thiophen-2-yl]thiophene-2-carbaldehyde;5-[5-[4-(5-bromothiophen-2-yl)-2,5-bis[5-[methyl-bis(trimethylsilyloxy)silyl]pentyl]-3,6-dioxopyrrolo[3,4-c]pyrrol-1-yl]thiophen-2-yl]thiophene-2-carbaldehyde is sourced from PubChem (CID 169424321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).