2,5-didecyl-1,4-bis(furan-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione

C34H48N2O4 — CID 66974056

IUPAC2,5-didecyl-1,4-bis(furan-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione
SMILESCCCCCCCCCCN1C(=O)C2=C(c3ccco3)N(CCCCCCCCCC)C(=O)C2=C1c1ccco1
InChIInChI=1S/C34H48N2O4/c1-3-5-7-9-11-13-15-17-23-35-31(27-21-19-25-39-27)29-30(33(35)37)32(28-22-20-26-40-28)36(34(29)38)24-18-16-14-12-10-8-6-4-2/h19-22,25-26H,3-18,23-24H2,1-2H3
InChIKeyMIQMNVVUNMZFAZ-UHFFFAOYSA-N
MW548.77 g/mol
LogP8.96
Rot. Bonds20

About 2,5-didecyl-1,4-bis(furan-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione

2,5-didecyl-1,4-bis(furan-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione (PubChem CID 66974056) has the molecular formula C34H48N2O4 and a molecular weight of 548.77 g/mol. Its IUPAC name is 2,5-didecyl-1,4-bis(furan-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione.

Molecular Properties

Compound Name2,5-didecyl-1,4-bis(furan-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione
PubChem CID66974056
Molecular FormulaC34H48N2O4
Molecular Weight548.77 g/mol
Exact Mass548.36
IUPAC Name2,5-didecyl-1,4-bis(furan-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione
SMILESCCCCCCCCCCN1C(=O)C2=C(c3ccco3)N(CCCCCCCCCC)C(=O)C2=C1c1ccco1
InChIInChI=1S/C34H48N2O4/c1-3-5-7-9-11-13-15-17-23-35-31(27-21-19-25-39-27)29-30(33(35)37)32(28-22-20-26-40-28)36(34(29)38)24-18-16-14-12-10-8-6-4-2/h19-22,25-26H,3-18,23-24H2,1-2H3
InChIKeyMIQMNVVUNMZFAZ-UHFFFAOYSA-N
XLogP8.96
TPSA66.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.77
LogP ≤ 58.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 2,5-didecyl-1,4-bis(furan-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione?
The IUPAC name of 2,5-didecyl-1,4-bis(furan-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione (CID 66974056) is 2,5-didecyl-1,4-bis(furan-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione.
What is the SMILES notation for 2,5-didecyl-1,4-bis(furan-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione?
The canonical SMILES for 2,5-didecyl-1,4-bis(furan-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione is CCCCCCCCCCN1C(=O)C2=C(c3ccco3)N(CCCCCCCCCC)C(=O)C2=C1c1ccco1.
What is the InChIKey of 2,5-didecyl-1,4-bis(furan-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione?
The InChIKey is MIQMNVVUNMZFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H48N2O4/c1-3-5-7-9-11-13-15-17-23-35-31(27-21-19-25-39-27)29-30(33(35)37)32(28-22-20-26-40-28)36(34(29)38)24-18-16-14-12-10-8-6-4-2/h19-22,25-26H,3-18,23-24H2,1-2H3.
What are the key properties of 2,5-didecyl-1,4-bis(furan-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione?
2,5-didecyl-1,4-bis(furan-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione has a molecular weight of 548.77 g/mol, XLogP of 8.96, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-didecyl-1,4-bis(furan-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione is sourced from PubChem (CID 66974056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).