2,6-bis(4-chlorophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

C22H10Cl2N2O4 — CID 634870

IUPAC2,6-bis(4-chlorophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESO=c1c2cc3c(=O)n(-c4ccc(Cl)cc4)c(=O)c3cc2c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C22H10Cl2N2O4/c23-11-1-5-13(6-2-11)25-19(27)15-9-17-18(10-16(15)20(25)28)22(30)26(21(17)29)14-7-3-12(24)4-8-14/h1-10H
InChIKeyTVJAKCCGHAUGTP-UHFFFAOYSA-N
MW437.24 g/mol
LogP3.20
Rot. Bonds2

About 2,6-bis(4-chlorophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

2,6-bis(4-chlorophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (PubChem CID 634870) has the molecular formula C22H10Cl2N2O4 and a molecular weight of 437.24 g/mol. Its IUPAC name is 2,6-bis(4-chlorophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.

Molecular Properties

Compound Name2,6-bis(4-chlorophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
PubChem CID634870
Molecular FormulaC22H10Cl2N2O4
Molecular Weight437.24 g/mol
Exact Mass436.00
IUPAC Name2,6-bis(4-chlorophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESO=c1c2cc3c(=O)n(-c4ccc(Cl)cc4)c(=O)c3cc2c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C22H10Cl2N2O4/c23-11-1-5-13(6-2-11)25-19(27)15-9-17-18(10-16(15)20(25)28)22(30)26(21(17)29)14-7-3-12(24)4-8-14/h1-10H
InChIKeyTVJAKCCGHAUGTP-UHFFFAOYSA-N
XLogP3.20
TPSA78.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.24
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-chlorophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The IUPAC name of 2,6-bis(4-chlorophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (CID 634870) is 2,6-bis(4-chlorophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.
What is the SMILES notation for 2,6-bis(4-chlorophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The canonical SMILES for 2,6-bis(4-chlorophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is O=c1c2cc3c(=O)n(-c4ccc(Cl)cc4)c(=O)c3cc2c(=O)n1-c1ccc(Cl)cc1.
What is the InChIKey of 2,6-bis(4-chlorophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The InChIKey is TVJAKCCGHAUGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H10Cl2N2O4/c23-11-1-5-13(6-2-11)25-19(27)15-9-17-18(10-16(15)20(25)28)22(30)26(21(17)29)14-7-3-12(24)4-8-14/h1-10H.
What are the key properties of 2,6-bis(4-chlorophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
2,6-bis(4-chlorophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone has a molecular weight of 437.24 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-chlorophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is sourced from PubChem (CID 634870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).