2-[4-[[4-(1,3-dioxoisoindol-2-yl)phenyl]diselanyl]phenyl]isoindole-1,3-dione

C28H16N2O4Se2 — CID 155531138

IUPAC2-[4-[[4-(1,3-dioxoisoindol-2-yl)phenyl]diselanyl]phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccc([Se][Se]c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1
InChIInChI=1S/C28H16N2O4Se2/c31-25-21-5-1-2-6-22(21)26(32)29(25)17-9-13-19(14-10-17)35-36-20-15-11-18(12-16-20)30-27(33)23-7-3-4-8-24(23)28(30)34/h1-16H
InChIKeyKVUQWXBBPWHZMV-UHFFFAOYSA-N
MW602.37 g/mol
LogP2.56
Rot. Bonds5

About 2-[4-[[4-(1,3-dioxoisoindol-2-yl)phenyl]diselanyl]phenyl]isoindole-1,3-dione

2-[4-[[4-(1,3-dioxoisoindol-2-yl)phenyl]diselanyl]phenyl]isoindole-1,3-dione (PubChem CID 155531138) has the molecular formula C28H16N2O4Se2 and a molecular weight of 602.37 g/mol. Its IUPAC name is 2-[4-[[4-(1,3-dioxoisoindol-2-yl)phenyl]diselanyl]phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-[[4-(1,3-dioxoisoindol-2-yl)phenyl]diselanyl]phenyl]isoindole-1,3-dione
PubChem CID155531138
Molecular FormulaC28H16N2O4Se2
Molecular Weight602.37 g/mol
Exact Mass603.94
IUPAC Name2-[4-[[4-(1,3-dioxoisoindol-2-yl)phenyl]diselanyl]phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccc([Se][Se]c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1
InChIInChI=1S/C28H16N2O4Se2/c31-25-21-5-1-2-6-22(21)26(32)29(25)17-9-13-19(14-10-17)35-36-20-15-11-18(12-16-20)30-27(33)23-7-3-4-8-24(23)28(30)34/h1-16H
InChIKeyKVUQWXBBPWHZMV-UHFFFAOYSA-N
XLogP2.56
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500602.37
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(1,3-dioxoisoindol-2-yl)phenyl]diselanyl]phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[4-[[4-(1,3-dioxoisoindol-2-yl)phenyl]diselanyl]phenyl]isoindole-1,3-dione (CID 155531138) is 2-[4-[[4-(1,3-dioxoisoindol-2-yl)phenyl]diselanyl]phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-[[4-(1,3-dioxoisoindol-2-yl)phenyl]diselanyl]phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-[[4-(1,3-dioxoisoindol-2-yl)phenyl]diselanyl]phenyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1ccc([Se][Se]c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1.
What is the InChIKey of 2-[4-[[4-(1,3-dioxoisoindol-2-yl)phenyl]diselanyl]phenyl]isoindole-1,3-dione?
The InChIKey is KVUQWXBBPWHZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16N2O4Se2/c31-25-21-5-1-2-6-22(21)26(32)29(25)17-9-13-19(14-10-17)35-36-20-15-11-18(12-16-20)30-27(33)23-7-3-4-8-24(23)28(30)34/h1-16H.
What are the key properties of 2-[4-[[4-(1,3-dioxoisoindol-2-yl)phenyl]diselanyl]phenyl]isoindole-1,3-dione?
2-[4-[[4-(1,3-dioxoisoindol-2-yl)phenyl]diselanyl]phenyl]isoindole-1,3-dione has a molecular weight of 602.37 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(1,3-dioxoisoindol-2-yl)phenyl]diselanyl]phenyl]isoindole-1,3-dione is sourced from PubChem (CID 155531138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).