3-ethyl-2-[5-(3-ethyl-2H-1,3-benzoselenazol-2-yl)penta-2,4-dienylidene]-1,3-benzoselenazole

C23H24N2Se2 — CID 163147517

IUPAC3-ethyl-2-[5-(3-ethyl-2H-1,3-benzoselenazol-2-yl)penta-2,4-dienylidene]-1,3-benzoselenazole
SMILESCCN1C(=CC=CC=CC2[Se]c3ccccc3N2CC)[Se]c2ccccc21
InChIInChI=1S/C23H24N2Se2/c1-3-24-18-12-8-10-14-20(18)26-22(24)16-6-5-7-17-23-25(4-2)19-13-9-11-15-21(19)27-23/h5-17,22H,3-4H2,1-2H3
InChIKeyMCZXNUZRBOFEMA-UHFFFAOYSA-N
MW486.38 g/mol
LogP3.01
Rot. Bonds5

About 3-ethyl-2-[5-(3-ethyl-2H-1,3-benzoselenazol-2-yl)penta-2,4-dienylidene]-1,3-benzoselenazole

3-ethyl-2-[5-(3-ethyl-2H-1,3-benzoselenazol-2-yl)penta-2,4-dienylidene]-1,3-benzoselenazole (PubChem CID 163147517) has the molecular formula C23H24N2Se2 and a molecular weight of 486.38 g/mol. Its IUPAC name is 3-ethyl-2-[5-(3-ethyl-2H-1,3-benzoselenazol-2-yl)penta-2,4-dienylidene]-1,3-benzoselenazole.

Molecular Properties

Compound Name3-ethyl-2-[5-(3-ethyl-2H-1,3-benzoselenazol-2-yl)penta-2,4-dienylidene]-1,3-benzoselenazole
PubChem CID163147517
Molecular FormulaC23H24N2Se2
Molecular Weight486.38 g/mol
Exact Mass488.03
IUPAC Name3-ethyl-2-[5-(3-ethyl-2H-1,3-benzoselenazol-2-yl)penta-2,4-dienylidene]-1,3-benzoselenazole
SMILESCCN1C(=CC=CC=CC2[Se]c3ccccc3N2CC)[Se]c2ccccc21
InChIInChI=1S/C23H24N2Se2/c1-3-24-18-12-8-10-14-20(18)26-22(24)16-6-5-7-17-23-25(4-2)19-13-9-11-15-21(19)27-23/h5-17,22H,3-4H2,1-2H3
InChIKeyMCZXNUZRBOFEMA-UHFFFAOYSA-N
XLogP3.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.38
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-3-ethyl-2-[(2E,4E,6E)-7-(3-ethyl-2,3-dihydro-1,3-benzoselenazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzoselenazole
CID 59729862
3,4-diethyl-2-[5-(3-ethyl-1,3-benzoselenazol-2-ylidene)penta-1,3-dienyl]-1,3-benzoselenazol-3-ium
CID 86138449
(2E)-2-[(E)-3-(1-butylquinolin-1-ium-4-yl)prop-2-enylidene]-3-ethyl-1,3-benzoselenazole
CID 6437095
(2E)-3-ethyl-2-[(2E,4E,6E)-7-(3-ethyl-2H-1,3-benzoxazol-2-yl)hepta-2,4,6-trienylidene]-1,3-benzoxazole
CID 177435875
3-ethyl-2-[7-(3-ethyl-2H-1,3-benzothiazol-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole
CID 57355481
3-ethyl-2-[(1-ethylquinolin-1-ium-4-yl)methylidene]-1,3-benzoselenazole
CID 53422461
1-ethyl-2-[5-(1-ethyl-3,3-dimethyl-2H-indol-2-yl)penta-2,4-dienylidene]-3,3-dimethylindole
CID 74975404
(2E)-3-ethyl-2-[(1-ethyl-6-methylquinolin-1-ium-2-yl)methylidene]-1,3-benzoselenazole iodide
CID 6441922
2-chloro-1,3-diethyl-2H-benzimidazole
CID 69082202
2-[2-(3-ethyl-1,3-benzoselenazol-3-ium-2-yl)ethenyl]-4-(3-ethyl-1,3-benzoselenazol-2-ylidene)but-2-enamide
CID 59043309
(2E)-3-ethyl-2-[(2E,4E)-5-(3-ethyl-5-methoxy-1,3-benzoselenazol-3-ium-2-yl)penta-2,4-dienylidene]-5-methoxy-1,3-benzoselenazole
CID 177430740
3-ethyl-2-[(1-ethyl-6-methoxyquinolin-1-ium-2-yl)methylidene]-1,3-benzoselenazole
CID 3621482

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[5-(3-ethyl-2H-1,3-benzoselenazol-2-yl)penta-2,4-dienylidene]-1,3-benzoselenazole?
The IUPAC name of 3-ethyl-2-[5-(3-ethyl-2H-1,3-benzoselenazol-2-yl)penta-2,4-dienylidene]-1,3-benzoselenazole (CID 163147517) is 3-ethyl-2-[5-(3-ethyl-2H-1,3-benzoselenazol-2-yl)penta-2,4-dienylidene]-1,3-benzoselenazole.
What is the SMILES notation for 3-ethyl-2-[5-(3-ethyl-2H-1,3-benzoselenazol-2-yl)penta-2,4-dienylidene]-1,3-benzoselenazole?
The canonical SMILES for 3-ethyl-2-[5-(3-ethyl-2H-1,3-benzoselenazol-2-yl)penta-2,4-dienylidene]-1,3-benzoselenazole is CCN1C(=CC=CC=CC2[Se]c3ccccc3N2CC)[Se]c2ccccc21.
What is the InChIKey of 3-ethyl-2-[5-(3-ethyl-2H-1,3-benzoselenazol-2-yl)penta-2,4-dienylidene]-1,3-benzoselenazole?
The InChIKey is MCZXNUZRBOFEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2Se2/c1-3-24-18-12-8-10-14-20(18)26-22(24)16-6-5-7-17-23-25(4-2)19-13-9-11-15-21(19)27-23/h5-17,22H,3-4H2,1-2H3.
What are the key properties of 3-ethyl-2-[5-(3-ethyl-2H-1,3-benzoselenazol-2-yl)penta-2,4-dienylidene]-1,3-benzoselenazole?
3-ethyl-2-[5-(3-ethyl-2H-1,3-benzoselenazol-2-yl)penta-2,4-dienylidene]-1,3-benzoselenazole has a molecular weight of 486.38 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[5-(3-ethyl-2H-1,3-benzoselenazol-2-yl)penta-2,4-dienylidene]-1,3-benzoselenazole is sourced from PubChem (CID 163147517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).