1-[4-[(2,5-dioxopyrrol-1-yl)-[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]pyrrole-2,5-dione

C25H15N3O6 — CID 170336263

IUPAC1-[4-[(2,5-dioxopyrrol-1-yl)-[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccc(C(c2ccc(N3C(=O)C=CC3=O)cc2)N2C(=O)C=CC2=O)cc1
InChIInChI=1S/C25H15N3O6/c29-19-9-10-20(30)26(19)17-5-1-15(2-6-17)25(28-23(33)13-14-24(28)34)16-3-7-18(8-4-16)27-21(31)11-12-22(27)32/h1-14,25H
InChIKeyBPMLROMBXKPUNN-UHFFFAOYSA-N
MW453.41 g/mol
LogP1.56
Rot. Bonds5

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

1-[4-[(2,5-dioxopyrrol-1-yl)-[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]pyrrole-2,5-dione (PubChem CID 170336263) has the molecular formula C25H15N3O6 and a molecular weight of 453.41 g/mol. Its IUPAC name is 1-[4-[(2,5-dioxopyrrol-1-yl)-[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-[(2,5-dioxopyrrol-1-yl)-[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]pyrrole-2,5-dione
PubChem CID170336263
Molecular FormulaC25H15N3O6
Molecular Weight453.41 g/mol
Exact Mass453.10
IUPAC Name1-[4-[(2,5-dioxopyrrol-1-yl)-[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccc(C(c2ccc(N3C(=O)C=CC3=O)cc2)N2C(=O)C=CC2=O)cc1
InChIInChI=1S/C25H15N3O6/c29-19-9-10-20(30)26(19)17-5-1-15(2-6-17)25(28-23(33)13-14-24(28)34)16-3-7-18(8-4-16)27-21(31)11-12-22(27)32/h1-14,25H
InChIKeyBPMLROMBXKPUNN-UHFFFAOYSA-N
XLogP1.56
TPSA112.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.41
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(dihydroxymethyl)phenyl]pyrrole-2,5-dione
CID 149391742
1-[4-[1-[4-(2,5-dioxopyrrol-1-yl)phenyl]ethyl]phenyl]pyrrole-2,5-dione
CID 20502008
1-(4-silylphenyl)pyrrole-2,5-dione
CID 151993924
1-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]-(4-phenylphenyl)methyl]phenyl]pyrrole-2,5-dione
CID 155460089
1-[4-(3-bromo-1,2-dihydroxypropyl)phenyl]pyrrole-2,5-dione
CID 171860969
1-[4-(2-methylidene-5-oxopyrrol-1-yl)phenyl]pyrrole-2,5-dione
CID 90336155
methane;1-phenylpyrrole-2,5-dione
CID 174935875
1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]-4-methylpentan-2-yl]phenyl]pyrrole-2,5-dione
CID 70559199
1-[4-(methylamino)phenyl]pyrrole-2,5-dione
CID 86170375
1-[4-[4-[1-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]butyl]phenoxy]phenyl]pyrrole-2,5-dione
CID 174939260
[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl-trimethylazanium iodide
CID 656708
1-[2-(2,5-dioxopyrrol-1-yl)ethyl]pyrrole-2,5-dione;1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;1-[4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione
CID 70372825

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,5-dioxopyrrol-1-yl)-[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]pyrrole-2,5-dione?
The IUPAC name of 1-[4-[(2,5-dioxopyrrol-1-yl)-[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]pyrrole-2,5-dione (CID 170336263) is 1-[4-[(2,5-dioxopyrrol-1-yl)-[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-[(2,5-dioxopyrrol-1-yl)-[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[4-[(2,5-dioxopyrrol-1-yl)-[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1c1ccc(C(c2ccc(N3C(=O)C=CC3=O)cc2)N2C(=O)C=CC2=O)cc1.
What is the InChIKey of 1-[4-[(2,5-dioxopyrrol-1-yl)-[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]pyrrole-2,5-dione?
The InChIKey is BPMLROMBXKPUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15N3O6/c29-19-9-10-20(30)26(19)17-5-1-15(2-6-17)25(28-23(33)13-14-24(28)34)16-3-7-18(8-4-16)27-21(31)11-12-22(27)32/h1-14,25H.
What are the key properties of 1-[4-[(2,5-dioxopyrrol-1-yl)-[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]pyrrole-2,5-dione?
1-[4-[(2,5-dioxopyrrol-1-yl)-[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]pyrrole-2,5-dione has a molecular weight of 453.41 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,5-dioxopyrrol-1-yl)-[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 170336263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).