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262607-22-7 | 3H-Indolium, 2-[2-[3-[2-(1,3-dihydro-3,3-dimethyl-1-phenyl-2H-indol-2-ylidene)ethylidene]-2-(1-naphthalenyl)-1-cyclopenten-1-yl]ethenyl]-3,3-dimethyl-1-phenyl-, perchlorate (1:1)
CAS No: 262607-22-7 Catalog No: AG002SI4 MDL No:
Product Description
Catalog Number:
AG002SI4
Chemical Name:
3H-Indolium, 2-[2-[3-[2-(1,3-dihydro-3,3-dimethyl-1-phenyl-2H-indol-2-ylidene)ethylidene]-2-(1-naphthalenyl)-1-cyclopenten-1-yl]ethenyl]-3,3-dimethyl-1-phenyl-, perchlorate (1:1)
CAS Number:
262607-22-7
Molecular Formula:
C51H45ClN2O4
Molecular Weight:
785.3670
IUPAC Name:
2-[2-[3-[2-(3,3-dimethyl-1-phenylindol-1-ium-2-yl)ethenyl]-2-naphthalen-1-ylcyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-phenylindole;perchlorate
InChI:
InChI=1S/C51H45N2.ClHO4/c1-50(2)43-26-13-15-28-45(43)52(39-20-7-5-8-21-39)47(50)34-32-37-30-31-38(49(37)42-25-17-19-36-18-11-12-24-41(36)42)33-35-48-51(3,4)44-27-14-16-29-46(44)53(48)40-22-9-6-10-23-40;2-1(3,4)5/h5-29,32-35H,30-31H2,1-4H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
SZXYULPSYMKLJL-UHFFFAOYSA-M
SMILES:
CC1(C)c2ccccc2N(C1=CC=C1CCC(=C1c1cccc2c1cccc2)C=CC1=[N+](c2ccccc2)c2c(C1(C)C)cccc2)c1ccccc1.[O-][Cl](=O)(=O)=O
Properties
Complexity:
1490
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
784.307g/mol
Formal Charge:
0
Heavy Atom Count:
58
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
785.381g/mol
Monoisotopic Mass:
784.307g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
80.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
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