2-(2,4-dichlorophenyl)-5-[2-(2,4-dichlorophenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione

C29H12Cl4N2O5 — CID 129198914

IUPAC2-(2,4-dichlorophenyl)-5-[2-(2,4-dichlorophenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
SMILESO=C(c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1Cl)C2=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1Cl)C2=O
InChIInChI=1S/C29H12Cl4N2O5/c30-15-3-7-23(21(32)11-15)34-26(37)17-5-1-13(9-19(17)28(34)39)25(36)14-2-6-18-20(10-14)29(40)35(27(18)38)24-8-4-16(31)12-22(24)33/h1-12H
InChIKeySJLJPQUSODQSJH-UHFFFAOYSA-N
MW610.24 g/mol
LogP7.13
Rot. Bonds4

About 2-(2,4-dichlorophenyl)-5-[2-(2,4-dichlorophenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione

2-(2,4-dichlorophenyl)-5-[2-(2,4-dichlorophenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione (PubChem CID 129198914) has the molecular formula C29H12Cl4N2O5 and a molecular weight of 610.24 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-5-[2-(2,4-dichlorophenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-5-[2-(2,4-dichlorophenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
PubChem CID129198914
Molecular FormulaC29H12Cl4N2O5
Molecular Weight610.24 g/mol
Exact Mass607.95
IUPAC Name2-(2,4-dichlorophenyl)-5-[2-(2,4-dichlorophenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
SMILESO=C(c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1Cl)C2=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1Cl)C2=O
InChIInChI=1S/C29H12Cl4N2O5/c30-15-3-7-23(21(32)11-15)34-26(37)17-5-1-13(9-19(17)28(34)39)25(36)14-2-6-18-20(10-14)29(40)35(27(18)38)24-8-4-16(31)12-22(24)33/h1-12H
InChIKeySJLJPQUSODQSJH-UHFFFAOYSA-N
XLogP7.13
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.24
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-5-[2-(2,4-dichlorophenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione?
The IUPAC name of 2-(2,4-dichlorophenyl)-5-[2-(2,4-dichlorophenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione (CID 129198914) is 2-(2,4-dichlorophenyl)-5-[2-(2,4-dichlorophenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-5-[2-(2,4-dichlorophenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione?
The canonical SMILES for 2-(2,4-dichlorophenyl)-5-[2-(2,4-dichlorophenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione is O=C(c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1Cl)C2=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1Cl)C2=O.
What is the InChIKey of 2-(2,4-dichlorophenyl)-5-[2-(2,4-dichlorophenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione?
The InChIKey is SJLJPQUSODQSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H12Cl4N2O5/c30-15-3-7-23(21(32)11-15)34-26(37)17-5-1-13(9-19(17)28(34)39)25(36)14-2-6-18-20(10-14)29(40)35(27(18)38)24-8-4-16(31)12-22(24)33/h1-12H.
What are the key properties of 2-(2,4-dichlorophenyl)-5-[2-(2,4-dichlorophenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione?
2-(2,4-dichlorophenyl)-5-[2-(2,4-dichlorophenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione has a molecular weight of 610.24 g/mol, XLogP of 7.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-5-[2-(2,4-dichlorophenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione is sourced from PubChem (CID 129198914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).