Poly 4,4,4,4-(1,3,6,8-Pyrenetetrayl)tetrakis[benzenamine] 1H-Benzimidazolium 4,7-bis(4-formylphenyl)-1,3-dimethyl- bromide

Product Information

Molecular Formula:
C80H60N8
Molecular Weight:
1132.49409395
Synonyms
4-[3,6,8-Tris(4-aminophenyl)pyren-1-yl]aniline; 4,4',4'',4'''-(1,3,6,8-Pyrenetetrayl)tetrakis[benzenamine] compound with 1,3,6,8-Tetrakis(4-aminophenyl)pyrene; 5,6-Bis(4-formylbenzyl)-1,3-dimethyl-benzimidazolinium bromide
IUPAC Name
4-[3,6,8-tris(4-aminophenyl)pyren-1-yl]aniline
Canonical SMILES
C1=CC(=CC=C1C2=CC(=C3C=CC4=C(C=C(C5=C4C3=C2C=C5)C6=CC=C(C=C6)N)C7=CC=C(C=C7)N)C8=CC=C(C=C8)N)N.C1=CC(=CC=C1C2=CC(=C3C=CC4=C(C=C(C5=C4C3=C2C=C5)C6=CC=C(C=C6)N)C7=CC=C(C=C7)N)C8=CC=C(C=C8)N)N
InChI
InChI=1S/2C40H30N4/c2*41-27-9-1-23(2-10-27)35-21-36(24-3-11-28(42)12-4-24)32-19-20-34-38(26-7-15-30(44)16-8-26)22-37(25-5-13-29(43)14-6-25)33-18-17-31(35)39(32)40(33)34/h2*1-22H,41-44H2
InChI Key
KGYKIFZPDQGUDJ-UHFFFAOYSA-N
Purity
97%
Solubility
None

Safety Information

Hazards
H302-H315-H319-H335
Precautionary Statement
P261-P280-P301+P312-P302+P352-P305+P351+P338
GHS Pictogram
GHS07
Signal Word
Warning

Computed Properties

Hydrogen Bond Donor Count
8
Hydrogen Bond Acceptor Count
8
Rotatable Bond Count
8
Exact Mass
1132.49409395
Monoisotopic Mass
1132.49409395
Topological Polar Surface Area
208
Heavy Atom Count
88
Formal Charge
0
Complexity
789
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
2
Compound Is Canonicalized
Yes
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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