1H-Benz[e]indolium,2-[2-[2-chloro-3-[(1,3-dihydro-1,1,3-trimethyl-2H-benz[e]indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,1,3-trimethyl-, perchlorate


Chemical Name: 1H-Benz[e]indolium,2-[2-[2-chloro-3-[(1,3-dihydro-1,1,3-trimethyl-2H-benz[e]indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,1,3-trimethyl-, perchlorate
CAS Number: 201024-57-9
Product Number: AG002D5H(AGN-PC-0QRTKX)
Synonyms:
MDL No:
Molecular Formula: C40H40Cl2N2O4
Molecular Weight: 683.6626

Identification/Properties


Computed Properties
Molecular Weight:
683.67g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
682.237g/mol
Monoisotopic Mass:
682.237g/mol
Topological Polar Surface Area:
80.5A^2
Heavy Atom Count:
48
Formal Charge:
0
Complexity:
1260
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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