1-(naphthalen-1-yldiselanyl)naphthalene;1-phenylpyrrole-2,5-dione

C30H21NO2Se2 — CID 174949176

IUPAC1-(naphthalen-1-yldiselanyl)naphthalene;1-phenylpyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccccc1.c1ccc2c([Se][Se]c3cccc4ccccc34)cccc2c1
InChIInChI=1S/C20H14Se2.C10H7NO2/c1-3-11-17-15(7-1)9-5-13-19(17)21-22-20-14-6-10-16-8-2-4-12-18(16)20;12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h1-14H;1-7H
InChIKeyPXTUSAOYKFDYET-UHFFFAOYSA-N
MW585.42 g/mol
LogP4.38
Rot. Bonds4

About 1-(naphthalen-1-yldiselanyl)naphthalene;1-phenylpyrrole-2,5-dione

1-(naphthalen-1-yldiselanyl)naphthalene;1-phenylpyrrole-2,5-dione (PubChem CID 174949176) has the molecular formula C30H21NO2Se2 and a molecular weight of 585.42 g/mol. Its IUPAC name is 1-(naphthalen-1-yldiselanyl)naphthalene;1-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(naphthalen-1-yldiselanyl)naphthalene;1-phenylpyrrole-2,5-dione
PubChem CID174949176
Molecular FormulaC30H21NO2Se2
Molecular Weight585.42 g/mol
Exact Mass586.99
IUPAC Name1-(naphthalen-1-yldiselanyl)naphthalene;1-phenylpyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccccc1.c1ccc2c([Se][Se]c3cccc4ccccc34)cccc2c1
InChIInChI=1S/C20H14Se2.C10H7NO2/c1-3-11-17-15(7-1)9-5-13-19(17)21-22-20-14-6-10-16-8-2-4-12-18(16)20;12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h1-14H;1-7H
InChIKeyPXTUSAOYKFDYET-UHFFFAOYSA-N
XLogP4.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.42
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-(naphthalen-1-yldiselanyl)naphthalene;1-phenylpyrrole-2,5-dione?
The IUPAC name of 1-(naphthalen-1-yldiselanyl)naphthalene;1-phenylpyrrole-2,5-dione (CID 174949176) is 1-(naphthalen-1-yldiselanyl)naphthalene;1-phenylpyrrole-2,5-dione.
What is the SMILES notation for 1-(naphthalen-1-yldiselanyl)naphthalene;1-phenylpyrrole-2,5-dione?
The canonical SMILES for 1-(naphthalen-1-yldiselanyl)naphthalene;1-phenylpyrrole-2,5-dione is O=C1C=CC(=O)N1c1ccccc1.c1ccc2c([Se][Se]c3cccc4ccccc34)cccc2c1.
What is the InChIKey of 1-(naphthalen-1-yldiselanyl)naphthalene;1-phenylpyrrole-2,5-dione?
The InChIKey is PXTUSAOYKFDYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Se2.C10H7NO2/c1-3-11-17-15(7-1)9-5-13-19(17)21-22-20-14-6-10-16-8-2-4-12-18(16)20;12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h1-14H;1-7H.
What are the key properties of 1-(naphthalen-1-yldiselanyl)naphthalene;1-phenylpyrrole-2,5-dione?
1-(naphthalen-1-yldiselanyl)naphthalene;1-phenylpyrrole-2,5-dione has a molecular weight of 585.42 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-1-yldiselanyl)naphthalene;1-phenylpyrrole-2,5-dione is sourced from PubChem (CID 174949176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).