2-[2-(1,3-dioxo-3a,4,9,9a-tetrahydrobenzo[f]isoindol-2-yl)phenyl]-3a,4,9,9a-tetrahydrobenzo[f]isoindole-1,3-dione

C30H24N2O4 — CID 118651397

IUPAC2-[2-(1,3-dioxo-3a,4,9,9a-tetrahydrobenzo[f]isoindol-2-yl)phenyl]-3a,4,9,9a-tetrahydrobenzo[f]isoindole-1,3-dione
SMILESO=C1C2Cc3ccccc3CC2C(=O)N1c1ccccc1N1C(=O)C2Cc3ccccc3CC2C1=O
InChIInChI=1S/C30H24N2O4/c33-27-21-13-17-7-1-2-8-18(17)14-22(21)28(34)31(27)25-11-5-6-12-26(25)32-29(35)23-15-19-9-3-4-10-20(19)16-24(23)30(32)36/h1-12,21-24H,13-16H2
InChIKeyIXZWYJPGSPXEHS-UHFFFAOYSA-N
MW476.53 g/mol
LogP3.50
Rot. Bonds2

About 2-[2-(1,3-dioxo-3a,4,9,9a-tetrahydrobenzo[f]isoindol-2-yl)phenyl]-3a,4,9,9a-tetrahydrobenzo[f]isoindole-1,3-dione

2-[2-(1,3-dioxo-3a,4,9,9a-tetrahydrobenzo[f]isoindol-2-yl)phenyl]-3a,4,9,9a-tetrahydrobenzo[f]isoindole-1,3-dione (PubChem CID 118651397) has the molecular formula C30H24N2O4 and a molecular weight of 476.53 g/mol. Its IUPAC name is 2-[2-(1,3-dioxo-3a,4,9,9a-tetrahydrobenzo[f]isoindol-2-yl)phenyl]-3a,4,9,9a-tetrahydrobenzo[f]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(1,3-dioxo-3a,4,9,9a-tetrahydrobenzo[f]isoindol-2-yl)phenyl]-3a,4,9,9a-tetrahydrobenzo[f]isoindole-1,3-dione
PubChem CID118651397
Molecular FormulaC30H24N2O4
Molecular Weight476.53 g/mol
Exact Mass476.17
IUPAC Name2-[2-(1,3-dioxo-3a,4,9,9a-tetrahydrobenzo[f]isoindol-2-yl)phenyl]-3a,4,9,9a-tetrahydrobenzo[f]isoindole-1,3-dione
SMILESO=C1C2Cc3ccccc3CC2C(=O)N1c1ccccc1N1C(=O)C2Cc3ccccc3CC2C1=O
InChIInChI=1S/C30H24N2O4/c33-27-21-13-17-7-1-2-8-18(17)14-22(21)28(34)31(27)25-11-5-6-12-26(25)32-29(35)23-15-19-9-3-4-10-20(19)16-24(23)30(32)36/h1-12,21-24H,13-16H2
InChIKeyIXZWYJPGSPXEHS-UHFFFAOYSA-N
XLogP3.50
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(1,3-dioxo-3a,4,9,9a-tetrahydrobenzo[f]isoindol-2-yl)phenyl]-3a,4,9,9a-tetrahydrobenzo[f]isoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-dioxo-3a,4,9,9a-tetrahydrobenzo[f]isoindol-2-yl)phenyl]-3a,4,9,9a-tetrahydrobenzo[f]isoindole-1,3-dione?
The IUPAC name of 2-[2-(1,3-dioxo-3a,4,9,9a-tetrahydrobenzo[f]isoindol-2-yl)phenyl]-3a,4,9,9a-tetrahydrobenzo[f]isoindole-1,3-dione (CID 118651397) is 2-[2-(1,3-dioxo-3a,4,9,9a-tetrahydrobenzo[f]isoindol-2-yl)phenyl]-3a,4,9,9a-tetrahydrobenzo[f]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(1,3-dioxo-3a,4,9,9a-tetrahydrobenzo[f]isoindol-2-yl)phenyl]-3a,4,9,9a-tetrahydrobenzo[f]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(1,3-dioxo-3a,4,9,9a-tetrahydrobenzo[f]isoindol-2-yl)phenyl]-3a,4,9,9a-tetrahydrobenzo[f]isoindole-1,3-dione is O=C1C2Cc3ccccc3CC2C(=O)N1c1ccccc1N1C(=O)C2Cc3ccccc3CC2C1=O.
What is the InChIKey of 2-[2-(1,3-dioxo-3a,4,9,9a-tetrahydrobenzo[f]isoindol-2-yl)phenyl]-3a,4,9,9a-tetrahydrobenzo[f]isoindole-1,3-dione?
The InChIKey is IXZWYJPGSPXEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O4/c33-27-21-13-17-7-1-2-8-18(17)14-22(21)28(34)31(27)25-11-5-6-12-26(25)32-29(35)23-15-19-9-3-4-10-20(19)16-24(23)30(32)36/h1-12,21-24H,13-16H2.
What are the key properties of 2-[2-(1,3-dioxo-3a,4,9,9a-tetrahydrobenzo[f]isoindol-2-yl)phenyl]-3a,4,9,9a-tetrahydrobenzo[f]isoindole-1,3-dione?
2-[2-(1,3-dioxo-3a,4,9,9a-tetrahydrobenzo[f]isoindol-2-yl)phenyl]-3a,4,9,9a-tetrahydrobenzo[f]isoindole-1,3-dione has a molecular weight of 476.53 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-dioxo-3a,4,9,9a-tetrahydrobenzo[f]isoindol-2-yl)phenyl]-3a,4,9,9a-tetrahydrobenzo[f]isoindole-1,3-dione is sourced from PubChem (CID 118651397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).