C23H26N3.1/2C10H6O6S2
bis(3-[N-methyl-4-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]anilino]propanenitrile);naphthalene-1,5-disulfonate
Also Known As: C23H26N3.1/2C10H6O6S2|C23-H26-N3.1/2C10-H6-O6-S2|3H-Indolium, 2-(2-(4-((2-cyanoethyl)methylamino)phenyl)ethenyl)-1,3,3-trimethyl-, 1,5-naphthalenedisulfonate (2:1)|3H-Indolium, 2-(2-(4-((2-cyanoethyl)methylamino)phenyl)ethenyl)-1,3,3-trimethyl-, salt with 1,5-naphthalenedisulfonic acid (2:1)|3H-Indolium, 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl-, 1,5-naphthalenedisulfonate (2:1)|3H-Indolium, 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl-, salt with 1,5-naphthalenedisulfonic acid (2:1)
| Molecular Formula | C56H58N6O6S2 |
|---|---|
| Molecular Weight | 974.3859 g/mol |
| LogP | 10.16 |
| Topological Polar Surface Area | 174.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 974.3859 |
| Heavy Atoms | 70 |
| Complexity | 3119.3 |
Chemical Identifiers
| CAS Number | 68957-48-2 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2[N+](=C1C=CC3=CC=C(C=C3)N(C)CCC#N)C)C.CC1(C2=CC=CC=C2[N+](=C1C=CC3=CC=C(C=C3)N(C)CCC#N)C)C.C1=CC2=C(C=CC=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-] |
Product Overview
C23H26N3.1/2C10H6O6S2 (CAS 68957-48-2), with molecular formula C56H58N6O6S2 and molecular weight 974.3859 g/mol. IUPAC: bis(3-[N-methyl-4-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]anilino]propanenitrile);naphthalene-1,5-disulfonate.
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