4,4'-(1,4-Phenylene)bis(2,6-diphenylpyrylium) Tetrafluoroborate - CAS 54620-09-6
Catalog: |
BB028739 |
Product Name: |
4,4'-(1,4-Phenylene)bis(2,6-diphenylpyrylium) Tetrafluoroborate |
CAS: |
54620-09-6 |
Synonyms: |
4-[4-(2,6-diphenyl-4-pyryliumyl)phenyl]-2,6-diphenylpyrylium;ditetrafluoroborate; 4-[4-(2,6-diphenylpyrylium-4-yl)phenyl]-2,6-diphenylpyrylium;ditetrafluoroborate |
IUPAC Name: | 4-[4-(2,6-diphenylpyrylium-4-yl)phenyl]-2,6-diphenylpyrylium;ditetrafluoroborate |
Description: | 4,4'-(1,4-Phenylene)bis(2,6-diphenylpyrylium) Tetrafluoroborate (CAS# 54620-09-6 ) is a useful research chemical. |
Molecular Weight: | 714.26 |
Molecular Formula: | C40H28F8O2B2 |
Canonical SMILES: | [B-](F)(F)(F)F.[B-](F)(F)(F)F.C1=CC=C(C=C1)C2=CC(=CC(=[O+]2)C3=CC=CC=C3)C4=CC=C(C=C4)C5=CC(=[O+]C(=C5)C6=CC=CC=C6)C7=CC=CC=C7 |
InChI: | InChI=1S/C40H28O2.2BF4/c1-5-13-31(14-6-1)37-25-35(26-38(41-37)32-15-7-2-8-16-32)29-21-23-30(24-22-29)36-27-39(33-17-9-3-10-18-33)42-40(28-36)34-19-11-4-12-20-34;2*2-1(3,4)5/h1-28H;;/q+2;2*-1 |
InChI Key: | PTPSANLCOHJZAZ-UHFFFAOYSA-N |
GHS Hazard Statement: | H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P280, P305+P351+P338, and P310 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
EP-0319156-A1 | Polypyridiniums | 19871130 |
US-4841021-A | Polypyridinium | 19871130 |
US-4898923-A | Polypyridinium copolymer | 19871130 |
Complexity: | 679 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 714.2147658 |
Formal Charge: | 0 |
Heavy Atom Count: | 52 |
Hydrogen Bond Acceptor Count: | 10 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 714.2147658 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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