1-[4-[4-(2,5-dioxopyrrol-1-yl)benzoyl]phenyl]pyrrole-2,5-dione;1-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]sulfanylphenyl]pyrrole-2,5-dione

C41H24N4O9S — CID 159560658

IUPAC1-[4-[4-(2,5-dioxopyrrol-1-yl)benzoyl]phenyl]pyrrole-2,5-dione;1-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]sulfanylphenyl]pyrrole-2,5-dione
SMILESO=C(c1ccc(N2C(=O)C=CC2=O)cc1)c1ccc(N2C(=O)C=CC2=O)cc1.O=C1C=CC(=O)N1c1ccc(Sc2ccc(N3C(=O)C=CC3=O)cc2)cc1
InChIInChI=1S/C21H12N2O5.C20H12N2O4S/c24-17-9-10-18(25)22(17)15-5-1-13(2-6-15)21(28)14-3-7-16(8-4-14)23-19(26)11-12-20(23)27;23-17-9-10-18(24)21(17)13-1-5-15(6-2-13)27-16-7-3-14(4-8-16)22-19(25)11-12-20(22)26/h1-12H;1-12H
InChIKeyMGONLNHHIKPRNW-UHFFFAOYSA-N
MW748.73 g/mol
LogP4.47
Rot. Bonds8

About 1-[4-[4-(2,5-dioxopyrrol-1-yl)benzoyl]phenyl]pyrrole-2,5-dione;1-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]sulfanylphenyl]pyrrole-2,5-dione

1-[4-[4-(2,5-dioxopyrrol-1-yl)benzoyl]phenyl]pyrrole-2,5-dione;1-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]sulfanylphenyl]pyrrole-2,5-dione (PubChem CID 159560658) has the molecular formula C41H24N4O9S and a molecular weight of 748.73 g/mol. Its IUPAC name is 1-[4-[4-(2,5-dioxopyrrol-1-yl)benzoyl]phenyl]pyrrole-2,5-dione;1-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]sulfanylphenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-[4-(2,5-dioxopyrrol-1-yl)benzoyl]phenyl]pyrrole-2,5-dione;1-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]sulfanylphenyl]pyrrole-2,5-dione
PubChem CID159560658
Molecular FormulaC41H24N4O9S
Molecular Weight748.73 g/mol
Exact Mass748.13
IUPAC Name1-[4-[4-(2,5-dioxopyrrol-1-yl)benzoyl]phenyl]pyrrole-2,5-dione;1-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]sulfanylphenyl]pyrrole-2,5-dione
SMILESO=C(c1ccc(N2C(=O)C=CC2=O)cc1)c1ccc(N2C(=O)C=CC2=O)cc1.O=C1C=CC(=O)N1c1ccc(Sc2ccc(N3C(=O)C=CC3=O)cc2)cc1
InChIInChI=1S/C21H12N2O5.C20H12N2O4S/c24-17-9-10-18(25)22(17)15-5-1-13(2-6-15)21(28)14-3-7-16(8-4-14)23-19(26)11-12-20(23)27;23-17-9-10-18(24)21(17)13-1-5-15(6-2-13)27-16-7-3-14(4-8-16)22-19(25)11-12-20(22)26/h1-12H;1-12H
InChIKeyMGONLNHHIKPRNW-UHFFFAOYSA-N
XLogP4.47
TPSA166.59 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500748.73
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-[4-[4-(2,5-dioxopyrrol-1-yl)benzoyl]phenyl]pyrrole-2,5-dione;1-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]sulfanylphenyl]pyrrole-2,5-dione with MolForge

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Related Compounds

1-[4-[8-[4-(2,5-dioxopyrrol-1-yl)phenyl]sulfanylthianthren-2-yl]sulfanylphenyl]pyrrole-2,5-dione
CID 102172180
1-[4-(2-hydroxyacetyl)phenyl]pyrrole-2,5-dione
CID 86218281
1-[4-[[2-[4-(2,5-dioxopyrrol-1-yl)phenyl]sulfanyl-3H-thiadiazol-5-yl]sulfanyl]phenyl]pyrrole-2,5-dione
CID 19796142
[4-(2,5-dioxopyrrol-1-yl)phenyl] 4-(2,5-dioxopyrrol-1-yl)benzoate
CID 102372975
dimethyltin(2+);bis(4-(2,5-dioxopyrrol-1-yl)benzoate)
CID 25242597
4-(2,5-dioxopyrrol-1-yl)benzoic acid;pyrrole-2,5-dione
CID 70630960
1-[4-[3-[7-[4-(2,5-dioxopyrrol-1-yl)phenyl]bicyclo[4.2.0]octa-1(6),2,4,7-tetraene-3-carbonyl]-7-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl]phenyl]pyrrole-2,5-dione
CID 22160748
1-[4-[2-(dimethylamino)acetyl]phenyl]pyrrole-2,5-dione
CID 170895995
1-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyrrole-2,5-dione
CID 4124115
1-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]pyrrole-2,5-dione
CID 6015796
N-(2-bromoethyl)-4-(2,5-dioxopyrrol-1-yl)benzamide
CID 118474719
[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]phenyl] 4-(2,5-dioxopyrrol-1-yl)benzoate
CID 138624190

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2,5-dioxopyrrol-1-yl)benzoyl]phenyl]pyrrole-2,5-dione;1-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]sulfanylphenyl]pyrrole-2,5-dione?
The IUPAC name of 1-[4-[4-(2,5-dioxopyrrol-1-yl)benzoyl]phenyl]pyrrole-2,5-dione;1-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]sulfanylphenyl]pyrrole-2,5-dione (CID 159560658) is 1-[4-[4-(2,5-dioxopyrrol-1-yl)benzoyl]phenyl]pyrrole-2,5-dione;1-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]sulfanylphenyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-[4-(2,5-dioxopyrrol-1-yl)benzoyl]phenyl]pyrrole-2,5-dione;1-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]sulfanylphenyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[4-[4-(2,5-dioxopyrrol-1-yl)benzoyl]phenyl]pyrrole-2,5-dione;1-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]sulfanylphenyl]pyrrole-2,5-dione is O=C(c1ccc(N2C(=O)C=CC2=O)cc1)c1ccc(N2C(=O)C=CC2=O)cc1.O=C1C=CC(=O)N1c1ccc(Sc2ccc(N3C(=O)C=CC3=O)cc2)cc1.
What is the InChIKey of 1-[4-[4-(2,5-dioxopyrrol-1-yl)benzoyl]phenyl]pyrrole-2,5-dione;1-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]sulfanylphenyl]pyrrole-2,5-dione?
The InChIKey is MGONLNHHIKPRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12N2O5.C20H12N2O4S/c24-17-9-10-18(25)22(17)15-5-1-13(2-6-15)21(28)14-3-7-16(8-4-14)23-19(26)11-12-20(23)27;23-17-9-10-18(24)21(17)13-1-5-15(6-2-13)27-16-7-3-14(4-8-16)22-19(25)11-12-20(22)26/h1-12H;1-12H.
What are the key properties of 1-[4-[4-(2,5-dioxopyrrol-1-yl)benzoyl]phenyl]pyrrole-2,5-dione;1-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]sulfanylphenyl]pyrrole-2,5-dione?
1-[4-[4-(2,5-dioxopyrrol-1-yl)benzoyl]phenyl]pyrrole-2,5-dione;1-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]sulfanylphenyl]pyrrole-2,5-dione has a molecular weight of 748.73 g/mol, XLogP of 4.47, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2,5-dioxopyrrol-1-yl)benzoyl]phenyl]pyrrole-2,5-dione;1-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]sulfanylphenyl]pyrrole-2,5-dione is sourced from PubChem (CID 159560658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).