6,7-dimethoxy-2-methyl-4-(3,4,5-trimethoxyphenyl)benzo[f]isoindole-1,3-dione

C24H23NO7 — CID 10550927

IUPAC6,7-dimethoxy-2-methyl-4-(3,4,5-trimethoxyphenyl)benzo[f]isoindole-1,3-dione
SMILESCOc1cc2cc3c(c(-c4cc(OC)c(OC)c(OC)c4)c2cc1OC)C(=O)N(C)C3=O
InChIInChI=1S/C24H23NO7/c1-25-23(26)15-7-12-8-16(28-2)17(29-3)11-14(12)20(21(15)24(25)27)13-9-18(30-4)22(32-6)19(10-13)31-5/h7-11H,1-6H3
InChIKeySPMFHVUFODYCPG-UHFFFAOYSA-N
MW437.45 g/mol
LogP3.78
Rot. Bonds6

About 6,7-dimethoxy-2-methyl-4-(3,4,5-trimethoxyphenyl)benzo[f]isoindole-1,3-dione

6,7-dimethoxy-2-methyl-4-(3,4,5-trimethoxyphenyl)benzo[f]isoindole-1,3-dione (PubChem CID 10550927) has the molecular formula C24H23NO7 and a molecular weight of 437.45 g/mol. Its IUPAC name is 6,7-dimethoxy-2-methyl-4-(3,4,5-trimethoxyphenyl)benzo[f]isoindole-1,3-dione.

Molecular Properties

Compound Name6,7-dimethoxy-2-methyl-4-(3,4,5-trimethoxyphenyl)benzo[f]isoindole-1,3-dione
PubChem CID10550927
Molecular FormulaC24H23NO7
Molecular Weight437.45 g/mol
Exact Mass437.15
IUPAC Name6,7-dimethoxy-2-methyl-4-(3,4,5-trimethoxyphenyl)benzo[f]isoindole-1,3-dione
SMILESCOc1cc2cc3c(c(-c4cc(OC)c(OC)c(OC)c4)c2cc1OC)C(=O)N(C)C3=O
InChIInChI=1S/C24H23NO7/c1-25-23(26)15-7-12-8-16(28-2)17(29-3)11-14(12)20(21(15)24(25)27)13-9-18(30-4)22(32-6)19(10-13)31-5/h7-11H,1-6H3
InChIKeySPMFHVUFODYCPG-UHFFFAOYSA-N
XLogP3.78
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-methyl-4-(3,4,5-trimethoxyphenyl)benzo[f]isoindole-1,3-dione?
The IUPAC name of 6,7-dimethoxy-2-methyl-4-(3,4,5-trimethoxyphenyl)benzo[f]isoindole-1,3-dione (CID 10550927) is 6,7-dimethoxy-2-methyl-4-(3,4,5-trimethoxyphenyl)benzo[f]isoindole-1,3-dione.
What is the SMILES notation for 6,7-dimethoxy-2-methyl-4-(3,4,5-trimethoxyphenyl)benzo[f]isoindole-1,3-dione?
The canonical SMILES for 6,7-dimethoxy-2-methyl-4-(3,4,5-trimethoxyphenyl)benzo[f]isoindole-1,3-dione is COc1cc2cc3c(c(-c4cc(OC)c(OC)c(OC)c4)c2cc1OC)C(=O)N(C)C3=O.
What is the InChIKey of 6,7-dimethoxy-2-methyl-4-(3,4,5-trimethoxyphenyl)benzo[f]isoindole-1,3-dione?
The InChIKey is SPMFHVUFODYCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO7/c1-25-23(26)15-7-12-8-16(28-2)17(29-3)11-14(12)20(21(15)24(25)27)13-9-18(30-4)22(32-6)19(10-13)31-5/h7-11H,1-6H3.
What are the key properties of 6,7-dimethoxy-2-methyl-4-(3,4,5-trimethoxyphenyl)benzo[f]isoindole-1,3-dione?
6,7-dimethoxy-2-methyl-4-(3,4,5-trimethoxyphenyl)benzo[f]isoindole-1,3-dione has a molecular weight of 437.45 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-methyl-4-(3,4,5-trimethoxyphenyl)benzo[f]isoindole-1,3-dione is sourced from PubChem (CID 10550927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).