1-[4-[3-(2,5-dioxopyrrol-1-yl)-4-[4-(2,5-dioxopyrrol-1-yl)phenyl]phenyl]cyclohexyl]pyrrole-2,5-dione

C30H23N3O6 — CID 138624342

IUPAC1-[4-[3-(2,5-dioxopyrrol-1-yl)-4-[4-(2,5-dioxopyrrol-1-yl)phenyl]phenyl]cyclohexyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccc(-c2ccc(C3CCC(N4C(=O)C=CC4=O)CC3)cc2N2C(=O)C=CC2=O)cc1
InChIInChI=1S/C30H23N3O6/c34-25-11-12-26(35)31(25)21-6-1-18(2-7-21)20-5-10-23(24(17-20)33-29(38)15-16-30(33)39)19-3-8-22(9-4-19)32-27(36)13-14-28(32)37/h3-5,8-18,21H,1-2,6-7H2
InChIKeyYYOBGAYLKFOLOQ-UHFFFAOYSA-N
MW521.53 g/mol
LogP3.16
Rot. Bonds5

About 1-[4-[3-(2,5-dioxopyrrol-1-yl)-4-[4-(2,5-dioxopyrrol-1-yl)phenyl]phenyl]cyclohexyl]pyrrole-2,5-dione

1-[4-[3-(2,5-dioxopyrrol-1-yl)-4-[4-(2,5-dioxopyrrol-1-yl)phenyl]phenyl]cyclohexyl]pyrrole-2,5-dione (PubChem CID 138624342) has the molecular formula C30H23N3O6 and a molecular weight of 521.53 g/mol. Its IUPAC name is 1-[4-[3-(2,5-dioxopyrrol-1-yl)-4-[4-(2,5-dioxopyrrol-1-yl)phenyl]phenyl]cyclohexyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-[3-(2,5-dioxopyrrol-1-yl)-4-[4-(2,5-dioxopyrrol-1-yl)phenyl]phenyl]cyclohexyl]pyrrole-2,5-dione
PubChem CID138624342
Molecular FormulaC30H23N3O6
Molecular Weight521.53 g/mol
Exact Mass521.16
IUPAC Name1-[4-[3-(2,5-dioxopyrrol-1-yl)-4-[4-(2,5-dioxopyrrol-1-yl)phenyl]phenyl]cyclohexyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccc(-c2ccc(C3CCC(N4C(=O)C=CC4=O)CC3)cc2N2C(=O)C=CC2=O)cc1
InChIInChI=1S/C30H23N3O6/c34-25-11-12-26(35)31(25)21-6-1-18(2-7-21)20-5-10-23(24(17-20)33-29(38)15-16-30(33)39)19-3-8-22(9-4-19)32-27(36)13-14-28(32)37/h3-5,8-18,21H,1-2,6-7H2
InChIKeyYYOBGAYLKFOLOQ-UHFFFAOYSA-N
XLogP3.16
TPSA112.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.53
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[3-(2,5-dioxopyrrol-1-yl)-4-[4-(2,5-dioxopyrrol-1-yl)phenyl]phenyl]cyclohexyl]pyrrole-2,5-dione?
The IUPAC name of 1-[4-[3-(2,5-dioxopyrrol-1-yl)-4-[4-(2,5-dioxopyrrol-1-yl)phenyl]phenyl]cyclohexyl]pyrrole-2,5-dione (CID 138624342) is 1-[4-[3-(2,5-dioxopyrrol-1-yl)-4-[4-(2,5-dioxopyrrol-1-yl)phenyl]phenyl]cyclohexyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-[3-(2,5-dioxopyrrol-1-yl)-4-[4-(2,5-dioxopyrrol-1-yl)phenyl]phenyl]cyclohexyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[4-[3-(2,5-dioxopyrrol-1-yl)-4-[4-(2,5-dioxopyrrol-1-yl)phenyl]phenyl]cyclohexyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1c1ccc(-c2ccc(C3CCC(N4C(=O)C=CC4=O)CC3)cc2N2C(=O)C=CC2=O)cc1.
What is the InChIKey of 1-[4-[3-(2,5-dioxopyrrol-1-yl)-4-[4-(2,5-dioxopyrrol-1-yl)phenyl]phenyl]cyclohexyl]pyrrole-2,5-dione?
The InChIKey is YYOBGAYLKFOLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N3O6/c34-25-11-12-26(35)31(25)21-6-1-18(2-7-21)20-5-10-23(24(17-20)33-29(38)15-16-30(33)39)19-3-8-22(9-4-19)32-27(36)13-14-28(32)37/h3-5,8-18,21H,1-2,6-7H2.
What are the key properties of 1-[4-[3-(2,5-dioxopyrrol-1-yl)-4-[4-(2,5-dioxopyrrol-1-yl)phenyl]phenyl]cyclohexyl]pyrrole-2,5-dione?
1-[4-[3-(2,5-dioxopyrrol-1-yl)-4-[4-(2,5-dioxopyrrol-1-yl)phenyl]phenyl]cyclohexyl]pyrrole-2,5-dione has a molecular weight of 521.53 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(2,5-dioxopyrrol-1-yl)-4-[4-(2,5-dioxopyrrol-1-yl)phenyl]phenyl]cyclohexyl]pyrrole-2,5-dione is sourced from PubChem (CID 138624342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).