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295797-48-7 | Pyridinium, 2,4,6-triphenyl-1-[2-[5-(phenylmethoxy)-1H-indol-3-yl]ethyl]-
CAS No: 295797-48-7 Catalog No: AG002YT3 MDL No:
Product Description
Catalog Number:
AG002YT3
Chemical Name:
Pyridinium, 2,4,6-triphenyl-1-[2-[5-(phenylmethoxy)-1H-indol-3-yl]ethyl]-
CAS Number:
295797-48-7
Molecular Formula:
C40H33N2O+
Molecular Weight:
557.7028
IUPAC Name:
5-phenylmethoxy-3-[2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl]-1H-indole
InChI:
InChI=1S/C40H33N2O/c1-5-13-30(14-6-1)29-43-36-21-22-38-37(27-36)34(28-41-38)23-24-42-39(32-17-9-3-10-18-32)25-35(31-15-7-2-8-16-31)26-40(42)33-19-11-4-12-20-33/h1-22,25-28,41H,23-24,29H2/q+1
InChI Key:
WHKUEIXZUGYODF-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)COc1ccc2c(c1)c(CC[n+]1c(cc(cc1c1ccccc1)c1ccccc1)c1ccccc1)c[nH]2
Properties
Complexity:
779
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
557.259g/mol
Formal Charge:
1
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
557.717g/mol
Monoisotopic Mass:
557.259g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
28.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.4
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