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Home > Indoles and Oxindole > 348626-56-2
348626-56-2 | 1,1,3-TRIMETHYL-2-((E)-2-(2-PHENYL-3-[(E)-2-(1,1,3-TRIMETHYL-1,3-DIHYDRO-2H-BENZO[E]INDOL-2-YLIDENE)ETHYLIDENE]-1-CYCLOPENTEN-1-YL)VINYL)-1H-BENZO[E]INDOLIUM PERCHLORATE
CAS No: 348626-56-2 Catalog No: AG007H6K MDL No:
Product Description
Catalog Number:
AG007H6K
Chemical Name:
1,1,3-TRIMETHYL-2-((E)-2-(2-PHENYL-3-[(E)-2-(1,1,3-TRIMETHYL-1,3-DIHYDRO-2H-BENZO[E]INDOL-2-YLIDENE)ETHYLIDENE]-1-CYCLOPENTEN-1-YL)VINYL)-1H-BENZO[E]INDOLIUM PERCHLORATE
CAS Number:
348626-56-2
Molecular Formula:
C45H43ClN2O4
Molecular Weight:
711.2869
IUPAC Name:
1,1,3-trimethyl-2-[2-[2-phenyl-3-[2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]benzo[e]indole;perchlorate
InChI:
InChI=1S/C45H43N2.ClHO4/c1-44(2)39(46(5)37-26-22-30-14-10-12-18-35(30)42(37)44)28-24-33-20-21-34(41(33)32-16-8-7-9-17-32)25-29-40-45(3,4)43-36-19-13-11-15-31(36)23-27-38(43)47(40)6;2-1(3,4)5/h7-19,22-29H,20-21H2,1-6H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
TZPXONCHBPYPGY-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.CN1c2ccc3c(c2C(/C/1=C\C=C1CCC(=C1c1ccccc1)/C=C/C1=[N+](C)c2c(C1(C)C)c1ccccc1cc2)(C)C)cccc3
Properties
Complexity:
1370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
710.291g/mol
Formal Charge:
0
Heavy Atom Count:
52
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
711.299g/mol
Monoisotopic Mass:
710.291g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
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