2,5-bis[2-(2-ethoxyethoxy)ethyl]-1,4-bis(4-methoxyphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione

C32H40N2O8 — CID 11093076

IUPAC2,5-bis[2-(2-ethoxyethoxy)ethyl]-1,4-bis(4-methoxyphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione
SMILESCCOCCOCCN1C(=O)C2=C(c3ccc(OC)cc3)N(CCOCCOCC)C(=O)C2=C1c1ccc(OC)cc1
InChIInChI=1S/C32H40N2O8/c1-5-39-19-21-41-17-15-33-29(23-7-11-25(37-3)12-8-23)27-28(31(33)35)30(24-9-13-26(38-4)14-10-24)34(32(27)36)16-18-42-22-20-40-6-2/h7-14H,5-6,15-22H2,1-4H3
InChIKeyURFHFNSYELNEEH-UHFFFAOYSA-N
MW580.68 g/mol
LogP3.62
Rot. Bonds18

About 2,5-bis[2-(2-ethoxyethoxy)ethyl]-1,4-bis(4-methoxyphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione

2,5-bis[2-(2-ethoxyethoxy)ethyl]-1,4-bis(4-methoxyphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione (PubChem CID 11093076) has the molecular formula C32H40N2O8 and a molecular weight of 580.68 g/mol. Its IUPAC name is 2,5-bis[2-(2-ethoxyethoxy)ethyl]-1,4-bis(4-methoxyphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione.

Molecular Properties

Compound Name2,5-bis[2-(2-ethoxyethoxy)ethyl]-1,4-bis(4-methoxyphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione
PubChem CID11093076
Molecular FormulaC32H40N2O8
Molecular Weight580.68 g/mol
Exact Mass580.28
IUPAC Name2,5-bis[2-(2-ethoxyethoxy)ethyl]-1,4-bis(4-methoxyphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione
SMILESCCOCCOCCN1C(=O)C2=C(c3ccc(OC)cc3)N(CCOCCOCC)C(=O)C2=C1c1ccc(OC)cc1
InChIInChI=1S/C32H40N2O8/c1-5-39-19-21-41-17-15-33-29(23-7-11-25(37-3)12-8-23)27-28(31(33)35)30(24-9-13-26(38-4)14-10-24)34(32(27)36)16-18-42-22-20-40-6-2/h7-14H,5-6,15-22H2,1-4H3
InChIKeyURFHFNSYELNEEH-UHFFFAOYSA-N
XLogP3.62
TPSA96.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500580.68
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis[4-(hydroxymethyl)phenyl]-2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrolo[3,4-c]pyrrole-3,6-dione
CID 102337637
3-(4-ethoxyphenyl)-4-hydroxy-1-[2-(4-methoxyphenoxy)ethyl]pyrrole-2,5-dione
CID 110583305
2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]isoindole-1,3-dione
CID 155179726
2,5-bis(2-ethoxyethyl)-1,4-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]pyrrolo[3,4-c]pyrrole-3,6-dione;5,6,11,12-tetraphenyltetracene
CID 157483686
1-(3-ethoxypropyl)-3-(3-methoxyanilino)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593126
3-[4-(dimethylamino)anilino]-1-(3-ethoxypropyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593131
3-(4-ethoxyphenyl)-1-(3-ethoxypropyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110547106
1-(2-methoxyethyl)-3-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110556405
3-(4-ethoxyphenyl)-1-(3-ethoxypropyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110547102
3-(4-ethoxyphenyl)-4-(4-methoxyanilino)-1-prop-2-enylpyrrole-2,5-dione
CID 110588010
(5R)-3-(2-ethoxyethyl)-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
CID 8608588
3-chloro-1-[2-(4-methoxyphenoxy)ethyl]-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110584463

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[2-(2-ethoxyethoxy)ethyl]-1,4-bis(4-methoxyphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione?
The IUPAC name of 2,5-bis[2-(2-ethoxyethoxy)ethyl]-1,4-bis(4-methoxyphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione (CID 11093076) is 2,5-bis[2-(2-ethoxyethoxy)ethyl]-1,4-bis(4-methoxyphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione.
What is the SMILES notation for 2,5-bis[2-(2-ethoxyethoxy)ethyl]-1,4-bis(4-methoxyphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione?
The canonical SMILES for 2,5-bis[2-(2-ethoxyethoxy)ethyl]-1,4-bis(4-methoxyphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione is CCOCCOCCN1C(=O)C2=C(c3ccc(OC)cc3)N(CCOCCOCC)C(=O)C2=C1c1ccc(OC)cc1.
What is the InChIKey of 2,5-bis[2-(2-ethoxyethoxy)ethyl]-1,4-bis(4-methoxyphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione?
The InChIKey is URFHFNSYELNEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N2O8/c1-5-39-19-21-41-17-15-33-29(23-7-11-25(37-3)12-8-23)27-28(31(33)35)30(24-9-13-26(38-4)14-10-24)34(32(27)36)16-18-42-22-20-40-6-2/h7-14H,5-6,15-22H2,1-4H3.
What are the key properties of 2,5-bis[2-(2-ethoxyethoxy)ethyl]-1,4-bis(4-methoxyphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione?
2,5-bis[2-(2-ethoxyethoxy)ethyl]-1,4-bis(4-methoxyphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione has a molecular weight of 580.68 g/mol, XLogP of 3.62, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[2-(2-ethoxyethoxy)ethyl]-1,4-bis(4-methoxyphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione is sourced from PubChem (CID 11093076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).