Basic information
- CAS
21016-19-3- Standard SMILES
CC1CC(C=CC=CC=C2CC(C)Cc3c(-c4ccccc4)cc(-c4ccccc4)[o+]c32)=C2OC(c3ccccc3)=CC(c3ccccc3)=C2C1.[O-][Cl+3]([O-])([O-])[O-]- InChIKey
XOVPRRKXGIHBEJ-UHFFFAOYSA-M- Molecular formula
- C49H43ClO6
- Average molar mass
- 763.3 g/mol
- Monoisotopic mass
- 762.2748168
Names & identifiers
- Preferred name
- Einecs 244-147-0
- IUPAC
- 6-methyl-8-[5-(6-methyl-2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene)penta-1,3-dienyl]-2,4-diphenyl-6,7-dihydro-5H-chromene perchlorate
Names & synonyms
EINECS 244-147-0DTXSID808851551-Benzopyrylium, 8-(5-(6,7-dihydro-6-methyl-2,4-diphenyl-5H-1-benzopyran-8-yl)-2,4-pentadien-1-ylidene)-5,6,7,8-tetrahydro-6-methyl-2,4-diphenyl-, perchlorate (1:1)1-Benzopyrylium, 8-(5-(6,7-dihydro-6-methyl-2,4-diphenyl-5H-1-benzopyran-8-yl)-2,4-pentadienylidene)-5,6,7,8-tetrahydro-6-methyl-2,4-diphenyl-, perchlorate1-Benzopyrylium, 8-[5-(6,7-dihydro-6-methyl-2,4-diphenyl-5H-1-benzopyran-8-yl)-2,4-pentadien-1-ylidene]-5,6,7,8-tetrahydro-6-methyl-2,4-diphenyl-, perchlorate (1:1)1-Benzopyrylium, 8-[5-(6,7-dihydro-6-methyl-2,4-diphenyl-5H-1-benzopyran-8-yl)-2,4-pentadienylidene]-5,6,7,8-tetrahydro-6-methyl-2,4-diphenyl-, perchlorateRefChem:590665DTXCID90102455321016-19-38-[5-(6,7-dihydro-6-methyl-2,4-diphenyl-5H-1-benzopyran-8-yl)penta-2,4-dienylidene]-5,6,7,8-tetrahydro-6-methyl-2,4-diphenyl-1-benzopyrylium perchlorate8-(5-(6,7-Dihydro-6-methyl-2,4-diphenyl-5H-1-benzopyran-8-yl)penta-2,4-dienylidene)-5,6,7,8-tetrahydro-6-methyl-2,4-diphenyl-1-benzopyrylium perchlorateSCHEMBL8038191
Show more names
XOVPRRKXGIHBEJ-UHFFFAOYSA-MDB-242952NS000521556-Methyl-8-[5-(6-methyl-2,4-diphenyl-6,7-dihydro-5H-1-benzopyran-8-yl)penta-2,4-dien-1-ylidene]-2,4-diphenyl-5,6,7,8-tetrahydro-1-benzopyran-1-ium perchlorate
Properties
Computed structural properties
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,360
Experimental & physicochemical properties
Chemical ClassesDyes -> Carbocyanine Dyes
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummarySee Indocyanine green.
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Benzopyrylium, 8-[5-(6,7-dihydro-6-methyl-2,4-diphenyl-5H-1-benzopyran-8-yl)-2,4-pentadien-1-ylidene]-5,6,7,8-tetrahydro-6-methyl-2,4-diphenyl-, perchlorate (1:1): ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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