3,3'-Dipropyloxadicarbocyanine
Basic information
- CAS
53213-90-4- Standard SMILES
CCCN1/C(=C/C=C/C=C/c2oc3ccccc3[n+]2CCC)Oc2ccccc21.[I-]- InChIKey
VILDQFLUZSBAGE-UHFFFAOYSA-M- Molecular formula
- C25H27IN2O2
- Average molar mass
- 514.4 g/mol
- Monoisotopic mass
- 514.11173
Overview
RN given refers to iodide
Names & identifiers
- Preferred name
- 3,3'-Dipropyloxadicarbocyanine
- IUPAC
- (2Z)-3-propyl-2-[(2E,4E)-5-(3-propyl-1,3-benzoxazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzoxazole iodide
- English name
- 3,3'-Dipropyloxadicarbocyanine iodide
- Molecular formula
- C25H27IN2O2
- Molecular weight
- 514.4
Names & synonyms
53213-90-43,3'-dipropyloxadicarbocyanineDio C3-(5)RefChem:907103,3'-DIPROPYLOXADICARBOCYANINE IODIDE(2Z)-3-propyl-2-[(2E,4E)-5-(3-propyl-1,3-benzoxazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzoxazole;iodide3-propyl-2-((1E,3E,5Z)-5-(3-propylbenzo[d]oxazol-2(3H)-ylidene)penta-1,3-dien-1-yl)benzo[d]oxazol-3-ium iodide3.3'-Dipropyloxadicarbocyanine iodidestarbld0046168DTXSID80967743MFCD07433842AKOS000814029
Show more names
NK 2606VILDQFLUZSBAGE-UHFFFAOYSA-M3,3`-Dipentylthiacarbocyanine iodide Di0C3(5)BENZOXAZOLIUM, 3-PROPYL-2-[5-(3-PROPYL-2(3H)-BENZOXAZOLYLIDENE)-1,3-PENTADIENYL]-, IODIDE3-Propyl-2-((1E,3E,5Z)-5-(3-propylbenzo[d]oxazol-2(3H)-ylidene)penta-1,3-dien-1-yl)benzo[d]oxa3-PROPYL-2-((1E,3E)-5-[3-PROPYL-1,3-BENZOXAZOL-2(3H)-YLIDENE]-1,3-PENTADIENYL)-1,3-BENZOXAZOL-3-IUM IODIDE
Benzoxazolium, 3-propyl-2-(5-(3-propyl-2(3H)-benzoxazolylidene)-1,3-pentadienyl)-, iodide3-Propyl-2-[5-(3-propyl-1,3-benzoxazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-3H-1,3-benzoxazol-1-ium iodide
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 564
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Analogs of those substrates or compounds which bind naturally at the active sites of proteins, enzymes, antibodies, steroids, or physiological receptors. These analogs form a stable covalent bond at the binding site, thereby acting as inhibitors of the proteins or steroids.
Chemicals that emit light after excitation by light. The wave length of the emitted light is usually longer than that of the incident light. Fluorochromes are substances that cause fluorescence in other substances, i.e., dyes used to mark or label other compounds with fluorescent tags.
Related reactions
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Compound notes
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