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

C36H28N2O4 — CID 153418506

IUPAC1-[4-[2-[4-[4-[2-[4-(2,5-dioxopyrrol-1-yl)phenyl]ethyl]phenyl]phenyl]ethyl]phenyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccc(CCc2ccc(-c3ccc(CCc4ccc(N5C(=O)C=CC5=O)cc4)cc3)cc2)cc1
InChIInChI=1S/C36H28N2O4/c39-33-21-22-34(40)37(33)31-17-9-27(10-18-31)3-1-25-5-13-29(14-6-25)30-15-7-26(8-16-30)2-4-28-11-19-32(20-12-28)38-35(41)23-24-36(38)42/h5-24H,1-4H2
InChIKeyJWKBFFSWXYXMRN-UHFFFAOYSA-N
MW552.63 g/mol
LogP5.78
Rot. Bonds9

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

1-[4-[2-[4-[4-[2-[4-(2,5-dioxopyrrol-1-yl)phenyl]ethyl]phenyl]phenyl]ethyl]phenyl]pyrrole-2,5-dione (PubChem CID 153418506) has the molecular formula C36H28N2O4 and a molecular weight of 552.63 g/mol. Its IUPAC name is 1-[4-[2-[4-[4-[2-[4-(2,5-dioxopyrrol-1-yl)phenyl]ethyl]phenyl]phenyl]ethyl]phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-[2-[4-[4-[2-[4-(2,5-dioxopyrrol-1-yl)phenyl]ethyl]phenyl]phenyl]ethyl]phenyl]pyrrole-2,5-dione
PubChem CID153418506
Molecular FormulaC36H28N2O4
Molecular Weight552.63 g/mol
Exact Mass552.20
IUPAC Name1-[4-[2-[4-[4-[2-[4-(2,5-dioxopyrrol-1-yl)phenyl]ethyl]phenyl]phenyl]ethyl]phenyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccc(CCc2ccc(-c3ccc(CCc4ccc(N5C(=O)C=CC5=O)cc4)cc3)cc2)cc1
InChIInChI=1S/C36H28N2O4/c39-33-21-22-34(40)37(33)31-17-9-27(10-18-31)3-1-25-5-13-29(14-6-25)30-15-7-26(8-16-30)2-4-28-11-19-32(20-12-28)38-35(41)23-24-36(38)42/h5-24H,1-4H2
InChIKeyJWKBFFSWXYXMRN-UHFFFAOYSA-N
XLogP5.78
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.63
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[2-[4-[4-[2-[4-(2,5-dioxopyrrol-1-yl)phenyl]ethyl]phenyl]phenyl]ethyl]phenyl]pyrrole-2,5-dione?
The IUPAC name of 1-[4-[2-[4-[4-[2-[4-(2,5-dioxopyrrol-1-yl)phenyl]ethyl]phenyl]phenyl]ethyl]phenyl]pyrrole-2,5-dione (CID 153418506) is 1-[4-[2-[4-[4-[2-[4-(2,5-dioxopyrrol-1-yl)phenyl]ethyl]phenyl]phenyl]ethyl]phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-[2-[4-[4-[2-[4-(2,5-dioxopyrrol-1-yl)phenyl]ethyl]phenyl]phenyl]ethyl]phenyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[4-[2-[4-[4-[2-[4-(2,5-dioxopyrrol-1-yl)phenyl]ethyl]phenyl]phenyl]ethyl]phenyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1c1ccc(CCc2ccc(-c3ccc(CCc4ccc(N5C(=O)C=CC5=O)cc4)cc3)cc2)cc1.
What is the InChIKey of 1-[4-[2-[4-[4-[2-[4-(2,5-dioxopyrrol-1-yl)phenyl]ethyl]phenyl]phenyl]ethyl]phenyl]pyrrole-2,5-dione?
The InChIKey is JWKBFFSWXYXMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28N2O4/c39-33-21-22-34(40)37(33)31-17-9-27(10-18-31)3-1-25-5-13-29(14-6-25)30-15-7-26(8-16-30)2-4-28-11-19-32(20-12-28)38-35(41)23-24-36(38)42/h5-24H,1-4H2.
What are the key properties of 1-[4-[2-[4-[4-[2-[4-(2,5-dioxopyrrol-1-yl)phenyl]ethyl]phenyl]phenyl]ethyl]phenyl]pyrrole-2,5-dione?
1-[4-[2-[4-[4-[2-[4-(2,5-dioxopyrrol-1-yl)phenyl]ethyl]phenyl]phenyl]ethyl]phenyl]pyrrole-2,5-dione has a molecular weight of 552.63 g/mol, XLogP of 5.78, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-[4-[2-[4-(2,5-dioxopyrrol-1-yl)phenyl]ethyl]phenyl]phenyl]ethyl]phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 153418506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).