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71140-67-5 | 1-Benzyl-2,3,4,5,6-pentaphenylpyridin-1-ium bromide
CAS No: 71140-67-5 Catalog No: AG01EX22 MDL No:
Product Description
Catalog Number:
AG01EX22
Chemical Name:
1-Benzyl-2,3,4,5,6-pentaphenylpyridin-1-ium bromide
CAS Number:
71140-67-5
Molecular Formula:
C42H32BrN
Molecular Weight:
630.6142
IUPAC Name:
1-benzyl-2,3,4,5,6-pentakis-phenylpyridin-1-ium;bromide
InChI:
InChI=1S/C42H32N.BrH/c1-7-19-32(20-8-1)31-43-41(36-27-15-5-16-28-36)39(34-23-11-3-12-24-34)38(33-21-9-2-10-22-33)40(35-25-13-4-14-26-35)42(43)37-29-17-6-18-30-37;/h1-30H,31H2;1H/q+1;/p-1
InChI Key:
IQVKNFKAIMVGOE-UHFFFAOYSA-M
SMILES:
c1ccc(cc1)C[n+]1c(c2ccccc2)c(c2ccccc2)c(c(c1c1ccccc1)c1ccccc1)c1ccccc1.[Br-]
Properties
Complexity:
736
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
629.172g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
630.629g/mol
Monoisotopic Mass:
629.172g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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