4,5,6,7-tetrachloro-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)isoindole-1,3-dione

C16Cl8N2O4 — CID 14512524

IUPAC4,5,6,7-tetrachloro-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)isoindole-1,3-dione
SMILESO=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O
InChIInChI=1S/C16Cl8N2O4/c17-5-1-2(6(18)10(22)9(5)21)14(28)25(13(1)27)26-15(29)3-4(16(26)30)8(20)12(24)11(23)7(3)19
InChIKeyJFEBIVJTGIPNKL-UHFFFAOYSA-N
MW567.81 g/mol
LogP6.72
Rot. Bonds1

About 4,5,6,7-tetrachloro-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)isoindole-1,3-dione

4,5,6,7-tetrachloro-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)isoindole-1,3-dione (PubChem CID 14512524) has the molecular formula C16Cl8N2O4 and a molecular weight of 567.81 g/mol. Its IUPAC name is 4,5,6,7-tetrachloro-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name4,5,6,7-tetrachloro-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)isoindole-1,3-dione
PubChem CID14512524
Molecular FormulaC16Cl8N2O4
Molecular Weight567.81 g/mol
Exact Mass563.74
IUPAC Name4,5,6,7-tetrachloro-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)isoindole-1,3-dione
SMILESO=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O
InChIInChI=1S/C16Cl8N2O4/c17-5-1-2(6(18)10(22)9(5)21)14(28)25(13(1)27)26-15(29)3-4(16(26)30)8(20)12(24)11(23)7(3)19
InChIKeyJFEBIVJTGIPNKL-UHFFFAOYSA-N
XLogP6.72
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.81
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrachloro-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)isoindole-1,3-dione?
The IUPAC name of 4,5,6,7-tetrachloro-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)isoindole-1,3-dione (CID 14512524) is 4,5,6,7-tetrachloro-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)isoindole-1,3-dione.
What is the SMILES notation for 4,5,6,7-tetrachloro-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)isoindole-1,3-dione?
The canonical SMILES for 4,5,6,7-tetrachloro-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)isoindole-1,3-dione is O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O.
What is the InChIKey of 4,5,6,7-tetrachloro-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)isoindole-1,3-dione?
The InChIKey is JFEBIVJTGIPNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16Cl8N2O4/c17-5-1-2(6(18)10(22)9(5)21)14(28)25(13(1)27)26-15(29)3-4(16(26)30)8(20)12(24)11(23)7(3)19.
What are the key properties of 4,5,6,7-tetrachloro-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)isoindole-1,3-dione?
4,5,6,7-tetrachloro-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)isoindole-1,3-dione has a molecular weight of 567.81 g/mol, XLogP of 6.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrachloro-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)isoindole-1,3-dione is sourced from PubChem (CID 14512524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).