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288403-55-4 | 3H-Indolium, 2-[5-(1,3-dihydro-3,3-dimethyl-1-phenyl-2H-indol-2-ylidene)-1,3-pentadien-1-yl]-3,3-dimethyl-1-phenyl-, perchlorate (1:1)
CAS No: 288403-55-4 Catalog No: AG002WSJ MDL No:
Product Description
Catalog Number:
AG002WSJ
Chemical Name:
3H-Indolium, 2-[5-(1,3-dihydro-3,3-dimethyl-1-phenyl-2H-indol-2-ylidene)-1,3-pentadien-1-yl]-3,3-dimethyl-1-phenyl-, perchlorate (1:1)
CAS Number:
288403-55-4
Molecular Formula:
C37H35ClN2O4
Molecular Weight:
607.1378
IUPAC Name:
(2E)-2-[(2E,4E)-5-(3,3-dimethyl-1-phenylindol-1-ium-2-yl)penta-2,4-dienylidene]-3,3-dimethyl-1-phenylindole;perchlorate
InChI:
InChI=1S/C37H35N2.ClHO4/c1-36(2)30-22-14-16-24-32(30)38(28-18-8-5-9-19-28)34(36)26-12-7-13-27-35-37(3,4)31-23-15-17-25-33(31)39(35)29-20-10-6-11-21-29;2-1(3,4)5/h5-27H,1-4H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
GIAWFAMYEKHQGE-UHFFFAOYSA-M
SMILES:
CC1(C)C(=CC=CC=CC2=[N+](c3ccccc3)c3c(C2(C)C)cccc3)N(c2c1cccc2)c1ccccc1.[O-][Cl](=O)(=O)=O
Properties
Complexity:
1000
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
3
Exact Mass:
606.229g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
607.147g/mol
Monoisotopic Mass:
606.229g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
80.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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