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

C34H24N2O4 — CID 139363924

IUPAC1-[4-[[4-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]phenyl]methyl]phenyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccc(Cc2ccc(-c3ccc(Cc4ccc(N5C(=O)C=CC5=O)cc4)cc3)cc2)cc1
InChIInChI=1S/C34H24N2O4/c37-31-17-18-32(38)35(31)29-13-5-25(6-14-29)21-23-1-9-27(10-2-23)28-11-3-24(4-12-28)22-26-7-15-30(16-8-26)36-33(39)19-20-34(36)40/h1-20H,21-22H2
InChIKeyKXAYJKGDEGHVKC-UHFFFAOYSA-N
MW524.58 g/mol
LogP5.39
Rot. Bonds7

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

1-[4-[[4-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]phenyl]methyl]phenyl]pyrrole-2,5-dione (PubChem CID 139363924) has the molecular formula C34H24N2O4 and a molecular weight of 524.58 g/mol. Its IUPAC name is 1-[4-[[4-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]phenyl]methyl]phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-[[4-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]phenyl]methyl]phenyl]pyrrole-2,5-dione
PubChem CID139363924
Molecular FormulaC34H24N2O4
Molecular Weight524.58 g/mol
Exact Mass524.17
IUPAC Name1-[4-[[4-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]phenyl]methyl]phenyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccc(Cc2ccc(-c3ccc(Cc4ccc(N5C(=O)C=CC5=O)cc4)cc3)cc2)cc1
InChIInChI=1S/C34H24N2O4/c37-31-17-18-32(38)35(31)29-13-5-25(6-14-29)21-23-1-9-27(10-2-23)28-11-3-24(4-12-28)22-26-7-15-30(16-8-26)36-33(39)19-20-34(36)40/h1-20H,21-22H2
InChIKeyKXAYJKGDEGHVKC-UHFFFAOYSA-N
XLogP5.39
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.58
LogP ≤ 55.39
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-[[4-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]phenyl]methyl]phenyl]pyrrole-2,5-dione?
The IUPAC name of 1-[4-[[4-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]phenyl]methyl]phenyl]pyrrole-2,5-dione (CID 139363924) is 1-[4-[[4-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]phenyl]methyl]phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-[[4-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]phenyl]methyl]phenyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[4-[[4-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]phenyl]methyl]phenyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1c1ccc(Cc2ccc(-c3ccc(Cc4ccc(N5C(=O)C=CC5=O)cc4)cc3)cc2)cc1.
What is the InChIKey of 1-[4-[[4-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]phenyl]methyl]phenyl]pyrrole-2,5-dione?
The InChIKey is KXAYJKGDEGHVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N2O4/c37-31-17-18-32(38)35(31)29-13-5-25(6-14-29)21-23-1-9-27(10-2-23)28-11-3-24(4-12-28)22-26-7-15-30(16-8-26)36-33(39)19-20-34(36)40/h1-20H,21-22H2.
What are the key properties of 1-[4-[[4-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]phenyl]methyl]phenyl]pyrrole-2,5-dione?
1-[4-[[4-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]phenyl]methyl]phenyl]pyrrole-2,5-dione has a molecular weight of 524.58 g/mol, XLogP of 5.39, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]phenyl]methyl]phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 139363924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).