5-[4-[4-[4-[4-(1,3-dioxoisoindol-5-yl)phenyl]phenyl]phenyl]phenyl]isoindole-1,3-dione

C40H24N2O4 — CID 102137846

IUPAC5-[4-[4-[4-[4-(1,3-dioxoisoindol-5-yl)phenyl]phenyl]phenyl]phenyl]isoindole-1,3-dione
SMILESO=C1NC(=O)c2cc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc8c(c7)C(=O)NC8=O)cc6)cc5)cc4)cc3)ccc21
InChIInChI=1S/C40H24N2O4/c43-37-33-19-17-31(21-35(33)39(45)41-37)29-13-9-27(10-14-29)25-5-1-23(2-6-25)24-3-7-26(8-4-24)28-11-15-30(16-12-28)32-18-20-34-36(22-32)40(46)42-38(34)44/h1-22H,(H,41,43,45)(H,42,44,46)
InChIKeyGVYAPNYMAJLSGA-UHFFFAOYSA-N
MW596.64 g/mol
LogP7.79
Rot. Bonds5

About 5-[4-[4-[4-[4-(1,3-dioxoisoindol-5-yl)phenyl]phenyl]phenyl]phenyl]isoindole-1,3-dione

5-[4-[4-[4-[4-(1,3-dioxoisoindol-5-yl)phenyl]phenyl]phenyl]phenyl]isoindole-1,3-dione (PubChem CID 102137846) has the molecular formula C40H24N2O4 and a molecular weight of 596.64 g/mol. Its IUPAC name is 5-[4-[4-[4-[4-(1,3-dioxoisoindol-5-yl)phenyl]phenyl]phenyl]phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name5-[4-[4-[4-[4-(1,3-dioxoisoindol-5-yl)phenyl]phenyl]phenyl]phenyl]isoindole-1,3-dione
PubChem CID102137846
Molecular FormulaC40H24N2O4
Molecular Weight596.64 g/mol
Exact Mass596.17
IUPAC Name5-[4-[4-[4-[4-(1,3-dioxoisoindol-5-yl)phenyl]phenyl]phenyl]phenyl]isoindole-1,3-dione
SMILESO=C1NC(=O)c2cc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc8c(c7)C(=O)NC8=O)cc6)cc5)cc4)cc3)ccc21
InChIInChI=1S/C40H24N2O4/c43-37-33-19-17-31(21-35(33)39(45)41-37)29-13-9-27(10-14-29)25-5-1-23(2-6-25)24-3-7-26(8-4-24)28-11-15-30(16-12-28)32-18-20-34-36(22-32)40(46)42-38(34)44/h1-22H,(H,41,43,45)(H,42,44,46)
InChIKeyGVYAPNYMAJLSGA-UHFFFAOYSA-N
XLogP7.79
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.64
LogP ≤ 57.79
H-Bond Donors ≤ 52
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 5-[4-[4-[4-[4-(1,3-dioxoisoindol-5-yl)phenyl]phenyl]phenyl]phenyl]isoindole-1,3-dione?
The IUPAC name of 5-[4-[4-[4-[4-(1,3-dioxoisoindol-5-yl)phenyl]phenyl]phenyl]phenyl]isoindole-1,3-dione (CID 102137846) is 5-[4-[4-[4-[4-(1,3-dioxoisoindol-5-yl)phenyl]phenyl]phenyl]phenyl]isoindole-1,3-dione.
What is the SMILES notation for 5-[4-[4-[4-[4-(1,3-dioxoisoindol-5-yl)phenyl]phenyl]phenyl]phenyl]isoindole-1,3-dione?
The canonical SMILES for 5-[4-[4-[4-[4-(1,3-dioxoisoindol-5-yl)phenyl]phenyl]phenyl]phenyl]isoindole-1,3-dione is O=C1NC(=O)c2cc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc8c(c7)C(=O)NC8=O)cc6)cc5)cc4)cc3)ccc21.
What is the InChIKey of 5-[4-[4-[4-[4-(1,3-dioxoisoindol-5-yl)phenyl]phenyl]phenyl]phenyl]isoindole-1,3-dione?
The InChIKey is GVYAPNYMAJLSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N2O4/c43-37-33-19-17-31(21-35(33)39(45)41-37)29-13-9-27(10-14-29)25-5-1-23(2-6-25)24-3-7-26(8-4-24)28-11-15-30(16-12-28)32-18-20-34-36(22-32)40(46)42-38(34)44/h1-22H,(H,41,43,45)(H,42,44,46).
What are the key properties of 5-[4-[4-[4-[4-(1,3-dioxoisoindol-5-yl)phenyl]phenyl]phenyl]phenyl]isoindole-1,3-dione?
5-[4-[4-[4-[4-(1,3-dioxoisoindol-5-yl)phenyl]phenyl]phenyl]phenyl]isoindole-1,3-dione has a molecular weight of 596.64 g/mol, XLogP of 7.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-[4-[4-(1,3-dioxoisoindol-5-yl)phenyl]phenyl]phenyl]phenyl]isoindole-1,3-dione is sourced from PubChem (CID 102137846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).