1-[4-[4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]anilino]phenyl]pyrrolidine-2,5-dione

C30H24N4O6 — CID 86007411

IUPAC1-[4-[4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]anilino]phenyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1ccc(N(c2ccc(N3C(=O)CCC3=O)cc2)c2ccc(N3C(=O)CCC3=O)cc2)cc1
InChIInChI=1S/C30H24N4O6/c35-25-13-14-26(36)32(25)22-7-1-19(2-8-22)31(20-3-9-23(10-4-20)33-27(37)15-16-28(33)38)21-5-11-24(12-6-21)34-29(39)17-18-30(34)40/h1-12H,13-18H2
InChIKeyDFHAULRUKGVVQK-UHFFFAOYSA-N
MW536.54 g/mol
LogP4.12
Rot. Bonds6

About 1-[4-[4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]anilino]phenyl]pyrrolidine-2,5-dione

1-[4-[4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]anilino]phenyl]pyrrolidine-2,5-dione (PubChem CID 86007411) has the molecular formula C30H24N4O6 and a molecular weight of 536.54 g/mol. Its IUPAC name is 1-[4-[4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]anilino]phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-[4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]anilino]phenyl]pyrrolidine-2,5-dione
PubChem CID86007411
Molecular FormulaC30H24N4O6
Molecular Weight536.54 g/mol
Exact Mass536.17
IUPAC Name1-[4-[4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]anilino]phenyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1ccc(N(c2ccc(N3C(=O)CCC3=O)cc2)c2ccc(N3C(=O)CCC3=O)cc2)cc1
InChIInChI=1S/C30H24N4O6/c35-25-13-14-26(36)32(25)22-7-1-19(2-8-22)31(20-3-9-23(10-4-20)33-27(37)15-16-28(33)38)21-5-11-24(12-6-21)34-29(39)17-18-30(34)40/h1-12H,13-18H2
InChIKeyDFHAULRUKGVVQK-UHFFFAOYSA-N
XLogP4.12
TPSA115.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.54
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]anilino]phenyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[4-[4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]anilino]phenyl]pyrrolidine-2,5-dione (CID 86007411) is 1-[4-[4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]anilino]phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-[4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]anilino]phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-[4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]anilino]phenyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1c1ccc(N(c2ccc(N3C(=O)CCC3=O)cc2)c2ccc(N3C(=O)CCC3=O)cc2)cc1.
What is the InChIKey of 1-[4-[4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]anilino]phenyl]pyrrolidine-2,5-dione?
The InChIKey is DFHAULRUKGVVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N4O6/c35-25-13-14-26(36)32(25)22-7-1-19(2-8-22)31(20-3-9-23(10-4-20)33-27(37)15-16-28(33)38)21-5-11-24(12-6-21)34-29(39)17-18-30(34)40/h1-12H,13-18H2.
What are the key properties of 1-[4-[4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]anilino]phenyl]pyrrolidine-2,5-dione?
1-[4-[4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]anilino]phenyl]pyrrolidine-2,5-dione has a molecular weight of 536.54 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]anilino]phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 86007411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).