7,8-dimethoxy-4-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-benzo[e]isoindole

C23H25NO5 — CID 3656761

IUPAC7,8-dimethoxy-4-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-benzo[e]isoindole
SMILESCOc1cc2cc(-c3cc(OC)c(OC)c(OC)c3)c3c(c2cc1OC)CNC3
InChIInChI=1S/C23H25NO5/c1-25-19-7-13-6-15(14-8-21(27-3)23(29-5)22(9-14)28-4)17-11-24-12-18(17)16(13)10-20(19)26-2/h6-10,24H,11-12H2,1-5H3
InChIKeyAECCJUJXNOJGBB-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.15
Rot. Bonds6

About 7,8-dimethoxy-4-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-benzo[e]isoindole

7,8-dimethoxy-4-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-benzo[e]isoindole (PubChem CID 3656761) has the molecular formula C23H25NO5 and a molecular weight of 395.46 g/mol. Its IUPAC name is 7,8-dimethoxy-4-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-benzo[e]isoindole.

Molecular Properties

Compound Name7,8-dimethoxy-4-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-benzo[e]isoindole
PubChem CID3656761
Molecular FormulaC23H25NO5
Molecular Weight395.46 g/mol
Exact Mass395.17
IUPAC Name7,8-dimethoxy-4-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-benzo[e]isoindole
SMILESCOc1cc2cc(-c3cc(OC)c(OC)c(OC)c3)c3c(c2cc1OC)CNC3
InChIInChI=1S/C23H25NO5/c1-25-19-7-13-6-15(14-8-21(27-3)23(29-5)22(9-14)28-4)17-11-24-12-18(17)16(13)10-20(19)26-2/h6-10,24H,11-12H2,1-5H3
InChIKeyAECCJUJXNOJGBB-UHFFFAOYSA-N
XLogP4.15
TPSA58.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-4-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-benzo[e]isoindole?
The IUPAC name of 7,8-dimethoxy-4-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-benzo[e]isoindole (CID 3656761) is 7,8-dimethoxy-4-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-benzo[e]isoindole.
What is the SMILES notation for 7,8-dimethoxy-4-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-benzo[e]isoindole?
The canonical SMILES for 7,8-dimethoxy-4-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-benzo[e]isoindole is COc1cc2cc(-c3cc(OC)c(OC)c(OC)c3)c3c(c2cc1OC)CNC3.
What is the InChIKey of 7,8-dimethoxy-4-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-benzo[e]isoindole?
The InChIKey is AECCJUJXNOJGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO5/c1-25-19-7-13-6-15(14-8-21(27-3)23(29-5)22(9-14)28-4)17-11-24-12-18(17)16(13)10-20(19)26-2/h6-10,24H,11-12H2,1-5H3.
What are the key properties of 7,8-dimethoxy-4-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-benzo[e]isoindole?
7,8-dimethoxy-4-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-benzo[e]isoindole has a molecular weight of 395.46 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-4-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-benzo[e]isoindole is sourced from PubChem (CID 3656761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).