2-[5-(1,3-dioxoisoindol-2-yl)naphthalen-1-yl]isoindole-1,3-dione

C26H14N2O4 — CID 1109044

IUPAC2-[5-(1,3-dioxoisoindol-2-yl)naphthalen-1-yl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cccc2c(N3C(=O)c4ccccc4C3=O)cccc12
InChIInChI=1S/C26H14N2O4/c29-23-17-7-1-2-8-18(17)24(30)27(23)21-13-5-12-16-15(21)11-6-14-22(16)28-25(31)19-9-3-4-10-20(19)26(28)32/h1-14H
InChIKeyTYIHRWSGZJFOPA-UHFFFAOYSA-N
MW418.41 g/mol
LogP4.44
Rot. Bonds2

About 2-[5-(1,3-dioxoisoindol-2-yl)naphthalen-1-yl]isoindole-1,3-dione

2-[5-(1,3-dioxoisoindol-2-yl)naphthalen-1-yl]isoindole-1,3-dione (PubChem CID 1109044) has the molecular formula C26H14N2O4 and a molecular weight of 418.41 g/mol. Its IUPAC name is 2-[5-(1,3-dioxoisoindol-2-yl)naphthalen-1-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[5-(1,3-dioxoisoindol-2-yl)naphthalen-1-yl]isoindole-1,3-dione
PubChem CID1109044
Molecular FormulaC26H14N2O4
Molecular Weight418.41 g/mol
Exact Mass418.10
IUPAC Name2-[5-(1,3-dioxoisoindol-2-yl)naphthalen-1-yl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cccc2c(N3C(=O)c4ccccc4C3=O)cccc12
InChIInChI=1S/C26H14N2O4/c29-23-17-7-1-2-8-18(17)24(30)27(23)21-13-5-12-16-15(21)11-6-14-22(16)28-25(31)19-9-3-4-10-20(19)26(28)32/h1-14H
InChIKeyTYIHRWSGZJFOPA-UHFFFAOYSA-N
XLogP4.44
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.41
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[5-(1,3-dioxoisoindol-2-yl)naphthalen-1-yl]isoindole-1,3-dione?
The IUPAC name of 2-[5-(1,3-dioxoisoindol-2-yl)naphthalen-1-yl]isoindole-1,3-dione (CID 1109044) is 2-[5-(1,3-dioxoisoindol-2-yl)naphthalen-1-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[5-(1,3-dioxoisoindol-2-yl)naphthalen-1-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[5-(1,3-dioxoisoindol-2-yl)naphthalen-1-yl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1cccc2c(N3C(=O)c4ccccc4C3=O)cccc12.
What is the InChIKey of 2-[5-(1,3-dioxoisoindol-2-yl)naphthalen-1-yl]isoindole-1,3-dione?
The InChIKey is TYIHRWSGZJFOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14N2O4/c29-23-17-7-1-2-8-18(17)24(30)27(23)21-13-5-12-16-15(21)11-6-14-22(16)28-25(31)19-9-3-4-10-20(19)26(28)32/h1-14H.
What are the key properties of 2-[5-(1,3-dioxoisoindol-2-yl)naphthalen-1-yl]isoindole-1,3-dione?
2-[5-(1,3-dioxoisoindol-2-yl)naphthalen-1-yl]isoindole-1,3-dione has a molecular weight of 418.41 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,3-dioxoisoindol-2-yl)naphthalen-1-yl]isoindole-1,3-dione is sourced from PubChem (CID 1109044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).