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117345-88-7

117345-88-7 | 3,8-Phenanthridinediaminium, N3,N3,N3,N8,N8,N8-hexamethyl-6-phenyl-, iodide (1:2)

CAS No: 117345-88-7 Catalog No: AG000E5L MDL No:

Product Description

Catalog Number:
AG000E5L
Chemical Name:
3,8-Phenanthridinediaminium, N3,N3,N3,N8,N8,N8-hexamethyl-6-phenyl-, iodide (1:2)
CAS Number:
117345-88-7
Molecular Formula:
C25H29I2N3
Molecular Weight:
625.3268
IUPAC Name:
trimethyl-[6-phenyl-3-(trimethylazaniumyl)phenanthridin-8-yl]azanium;diiodide
InChI:
InChI=1S/C25H29N3.2HI/c1-27(2,3)19-12-14-21-22-15-13-20(28(4,5)6)17-24(22)26-25(23(21)16-19)18-10-8-7-9-11-18;;/h7-17H,1-6H3;2*1H/q+2;;/p-2
InChI Key:
UOKNTNXWHGZPQS-UHFFFAOYSA-L
SMILES:
C[N+](c1ccc2c(c1)c(nc1c2ccc(c1)[N+](C)(C)C)c1ccccc1)(C)C.[I-].[I-]

Properties

Complexity:
525  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
625.045g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
625.337g/mol
Monoisotopic Mass:
625.045g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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