1-benzyl-2-[3-(1-benzyl-1,3-dimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]-1,3-dimethylbenzo[e]indole;hexafluorophosphate


Chemical Name: 1-benzyl-2-[3-(1-benzyl-1,3-dimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]-1,3-dimethylbenzo[e]indole;hexafluorophosphate
CAS Number: 581092-53-7
Product Number: AG003DZE(AGN-PC-0JEK29)
Synonyms:
MDL No: MFCD18071595
Molecular Formula: C45H41F6N2P
Molecular Weight: 754.7846

Identification/Properties


Computed Properties
Molecular Weight:
754.801g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
6
Exact Mass:
754.291g/mol
Monoisotopic Mass:
754.291g/mol
Topological Polar Surface Area:
6.2A^2
Heavy Atom Count:
54
Formal Charge:
0
Complexity:
1170
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
2811
Hazard Statements:
H315-H317-H319-H335-H360
Precautionary Statements:
P201-P261-P280-P305+P351+P338-P308+P313
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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