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29330-29-8 | 3H-Pyrrolo[2,3-b]pyridinium, 2-[2-(1,2-diphenyl-1H-indol-3-yl)ethenyl]-1,3,3-trimethyl-, perchlorate (1:1)
CAS No: 29330-29-8 Catalog No: AG002Y29 MDL No:
Product Description
Catalog Number:
AG002Y29
Chemical Name:
3H-Pyrrolo[2,3-b]pyridinium, 2-[2-(1,2-diphenyl-1H-indol-3-yl)ethenyl]-1,3,3-trimethyl-, perchlorate (1:1)
CAS Number:
29330-29-8
Molecular Formula:
C32H28ClN3O4
Molecular Weight:
554.0354
IUPAC Name:
2-[2-(1,2-diphenylindol-3-yl)ethenyl]-1,3,3-trimethylpyrrolo[2,3-b]pyridin-1-ium;perchlorate
InChI:
InChI=1S/C32H28N3.ClHO4/c1-32(2)27-18-12-22-33-31(27)34(3)29(32)21-20-26-25-17-10-11-19-28(25)35(24-15-8-5-9-16-24)30(26)23-13-6-4-7-14-23;2-1(3,4)5/h4-22H,1-3H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
ZPMURFGDZAMKLO-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.C[N+]1=C(C=Cc2c(c3ccccc3)n(c3c2cccc3)c2ccccc2)C(c2c1nccc2)(C)C
EC Number:
249-563-6
Properties
Complexity:
896
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
553.177g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
554.043g/mol
Monoisotopic Mass:
553.177g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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