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70446-30-9

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Basic Information
CAS No.: 70446-30-9
Name: 1,3,3-TRIMETHYL-2-(2-(2-PHENYL-3-(2-(1,3,3-TRIMETHYL-1H-2(3H)- INDOLIDENE)ETHYLIDENE)-1-CYCLOPENTENYL)ETHENYL)-3H-INDOLIUM PERCHLORATE
Molecular Structure:
Molecular Structure of 70446-30-9 (1,3,3-TRIMETHYL-2-(2-(2-PHENYL-3-(2-(1,3,3-TRIMETHYL-1H-2(3H)- INDOLIDENE)ETHYLIDENE)-1-CYCLOPENTENYL)ETHENYL)-3H-INDOLIUM PERCHLORATE)
Formula: C37H39ClN2O4
Molecular Weight: 611.17000
Synonyms: 1,3,3-TRIMETHYL-2-(2-(2-PHENYL-3-[2-(1,3,3-TRIMETHYL-2,3-DIHYDRO-1H-2-INDOLYLIDEN)ETHYLIDENE]-1-CYCLOPENTENYL)-1-ETHENYL)-3H-INDOLIUM PERCHLORIDE;3H-INDOLIUM,2-[2-[3-[(1,3-DIHYDRO-1,3,3-TRIMETHYL-2H-INDOL-2-YLIDENE)ETHYLIDENE]-2-PHENYL-1-CYCLOPENTEN-1-YL]ETHENYL]-1,3,3-TRIMETHYL-,PERCHLORATE;2-[2-[3-[(1,3-Dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-2-phenyl-1-cyclopenten-1-yl]ethenyl]-1,3,3-trimethyl-3H-indolium perchlorate;
Melting Point: 255-256oC
PSA: 80.52000
LogP: 8.97240
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Chemistry

Molecular Structure of 2-[2-[3-[(1,3-Dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-2-phenyl-1-cyclopenten-1-yl]ethenyl]-1,3,3-trimethyl-3H-indolium perchlorate (CAS No.70446-30-9):

Molecular Formula: C37H39N2.ClO4
Molecular Weight: 611.18
CAS No: 70446-30-9
H bond acceptors: 6
H bond donors: 1
Freely Rotating Bonds: 4
Polar Surface Area: 80.52 Å2
Systematic Name: 1,3,3-Trimethyl-2-[(E)-2-[(3E)-2-phenyl-3-[(2E)-2-(1,3,3-trimethylindolin-2-ylidene)ethylidene]cyclopenten-1-yl]vinyl]indol-1-ium perchlorate
InChI: InChI=1/C37H39N2.ClO4/c1-36(2)29-16-10-12-18-31(29)38(5)33(36)24-22-27-20-21-28(35(27)26-14-8-7-9-15-26)23-25-34-37(3,4)30-17-11-13-19-32(30)39(34)6;2-1(3,4)5/h7-19,22-25H,20-21H2,1-6H3;(H,2,3,4,5)/q+1;/p-1
InChIKey: IKQYLPIVSOYOSW-REWHXWOFAG

Specification

  2-[2-[3-[(1,3-Dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-2-phenyl-1-cyclopenten-1-yl]ethenyl]-1,3,3-trimethyl-3H-indolium perchlorate (CAS No.70446-30-9), it also can be called 1,3,3-Trimethyl-2-(2-{2-phenyl-3-[2-(1,3,3-trimethyl-2,3-dihydro-1H-2-indolyliden)ethylidene]-1-cyclopentenyl}-1-ethenyl)-3H-indolium perchloride ; 3H-Indolium, 2-[2-[3-[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-2-phenyl-1-cyclopenten-1-yl]ethenyl]-1,3,3-trimethyl-, perchlorate (9CI) .