1-Benzopyrylium, 8-(5-(6,7-dihydro-2,4-bis(4-(pentyloxy)phenyl)-5H-1-benzopyran-8-yl)-2,4-pentadien-1-ylidene)-5,6,7,8-tetrahydro-2,4-diphenyl-, perchlorate (1:1)

HCID 89413

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Basic information

CAS: 21016-22-8
Standard SMILES: CCCCCOc1ccc(C2=CC(c3ccc(OCCCCC)cc3)=C3CCCC(C=CC=CC=C4CCCc5c(-c6ccccc6)cc(-c6ccccc6)[o+]c54)=C3O2)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIKey: IVDJZGCLYUWBQV-UHFFFAOYSA-M
Molecular formula: C57H59ClO8
Average molar mass: 907.5 g/mol
Monoisotopic mass: 906.3898465

Overview

designed to be used with Nd-YAG laser; structure given in first source

Names & identifiers

Preferred name: 1-Benzopyrylium, 8-(5-(6,7-dihydro-2,4-bis(4-(pentyloxy)phenyl)-5H-1-benzopyran-8-yl)-2,4-pentadien-1-ylidene)-5,6,7,8-tetrahydro-2,4-diphenyl-, perchlorate (1:1)
IUPAC: 8-[5-[2,4-bis(4-pentoxyphenyl)-6,7-dihydro-5H-chromen-8-yl]penta-2,4-dienylidene]-2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium perchlorate

Names & synonyms

Q-Switch II dye21016-22-81-Benzopyrylium, 8-(5-(6,7-dihydro-2,4-bis(4-(pentyloxy)phenyl)-5H-1-benzopyran-8-yl)-2,4-pentadien-1-ylidene)-5,6,7,8-tetrahydro-2,4-diphenyl-, perchlorate (1:1)RefChem:1779998-[5-[2,4-bis(4-pentoxyphenyl)-6,7-dihydro-5H-chromen-8-yl]penta-2,4-dienylidene]-2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium;perchlorate8-(5-(2,4-bis(4-pentyloxyphenyl)-6,7-dihydro-5H-benzopyran-8-yl)-2,4-pentadienylidene)-2,4-bis(4-pentyloxyphenyl)-5,6,7,8-tetrahydro-1-benzopyriliumSCHEMBL8038253IVDJZGCLYUWBQV-UHFFFAOYSA-MDB-2394912,4-Bis(4-amoxyphenyl)-8-[5-(2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene)penta-1,3-dienyl]-6,7-dihydro-5H-chromene perchlorate

Database identifiers

CAS: 21016-22-8
PubChem CID: 89413
DTXSID: DTXSID0066668

Properties

Computed structural properties

Topological polar surface area: 103 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 17
Heavy atoms: 66
Formal charge: 0
Complexity: 1,630

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1-Benzopyrylium, 8-[5-[6,7-dihydro-2,4-bis[4-(pentyloxy)phenyl]-5H-1-benzopyran-8-yl]-2,4-pentadien-1-ylidene]-5,6,7,8-tetrahydro-2,4-diphenyl-, perchlorate (1:1): INACTIVE

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