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

C50H82N2O4S3Si4 — CID 140673608

IUPAC2,5-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
SMILESCC(C)c1ccc(C2=C3C(=O)N(CCCCCCCC[Si](C)(C)O[Si](C)(C)C)C(c4ccc(-c5ccc(C(C)C)s5)s4)=C3C(=O)N2CCCCCCCC[Si](C)(C)O[Si](C)(C)C)s1
InChIInChI=1S/C50H82N2O4S3Si4/c1-37(2)39-27-29-41(57-39)42-30-32-44(59-42)48-46-45(49(53)52(48)34-24-20-16-18-22-26-36-63(13,14)56-61(8,9)10)47(43-31-28-40(58-43)38(3)4)51(50(46)54)33-23-19-15-17-21-25-35-62(11,12)55-60(5,6)7/h27-32,37-38H,15-26,33-36H2,1-14H3
InChIKeyQLMBIBKTYHNGBV-UHFFFAOYSA-N
MW983.76 g/mol
LogP16.39
Rot. Bonds27

About 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

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 (PubChem CID 140673608) has the molecular formula C50H82N2O4S3Si4 and a molecular weight of 983.76 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,5-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
PubChem CID140673608
Molecular FormulaC50H82N2O4S3Si4
Molecular Weight983.76 g/mol
Exact Mass982.45
IUPAC Name2,5-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
SMILESCC(C)c1ccc(C2=C3C(=O)N(CCCCCCCC[Si](C)(C)O[Si](C)(C)C)C(c4ccc(-c5ccc(C(C)C)s5)s4)=C3C(=O)N2CCCCCCCC[Si](C)(C)O[Si](C)(C)C)s1
InChIInChI=1S/C50H82N2O4S3Si4/c1-37(2)39-27-29-41(57-39)42-30-32-44(59-42)48-46-45(49(53)52(48)34-24-20-16-18-22-26-36-63(13,14)56-61(8,9)10)47(43-31-28-40(58-43)38(3)4)51(50(46)54)33-23-19-15-17-21-25-35-62(11,12)55-60(5,6)7/h27-32,37-38H,15-26,33-36H2,1-14H3
InChIKeyQLMBIBKTYHNGBV-UHFFFAOYSA-N
XLogP16.39
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds27
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500983.76
LogP ≤ 516.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1ccc(C2=C3C(=O)N(CCCCCCCC[Si](C)(C)O[Si](C)(C)C)C(c4ccc(-c5ccc(C(C)C)s5)s4)=C3C(=O)N2CCCCCCCC[Si](C)(C)O[Si](C)(C)C)s1.
What is the InChIKey of 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?
The InChIKey is QLMBIBKTYHNGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H82N2O4S3Si4/c1-37(2)39-27-29-41(57-39)42-30-32-44(59-42)48-46-45(49(53)52(48)34-24-20-16-18-22-26-36-63(13,14)56-61(8,9)10)47(43-31-28-40(58-43)38(3)4)51(50(46)54)33-23-19-15-17-21-25-35-62(11,12)55-60(5,6)7/h27-32,37-38H,15-26,33-36H2,1-14H3.
What are the key properties of 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?
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 has a molecular weight of 983.76 g/mol, XLogP of 16.39, 27 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 140673608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).