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246517-72-6

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Basic Information
CAS No.: 246517-72-6
Name: 1,3,3-TRIMETHYL-2-((E)-2-(2-PHENYL-3-[(E)-2-(1,3,3-TRIMETHYL-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)ETHYLIDENE]-1-CYCLOPENTEN-1-YL)ETHENYL)-3H-INDOLIUM TETRAFLUOROBORATE
Molecular Structure:
Molecular Structure of 246517-72-6 (1,3,3-TRIMETHYL-2-((E)-2-(2-PHENYL-3-[(E)-2-(1,3,3-TRIMETHYL-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)ETHYLIDENE]-1-CYCLOPENTEN-1-YL)ETHENYL)-3H-INDOLIUM TETRAFLUOROBORATE)
Formula: C37H39BF4N2
Molecular Weight: 598.52
Synonyms: 1,3,3-TRIMETHYL-2-((E)-2-(2-PHENYL-3-[(E)-2-(1,3,3-TRIMETHYL-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)ETHYLIDENE]-1-CYCLOPENTEN-1-YL)ETHENYL)-3H-INDOLIUM TETRAFLUOROBORATE;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-, TETRAFLUOROBORATE(1-)
Density: g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
PSA: 6.25000
LogP: 10.05810
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Chemistry

Molecular structure of 1,3,3-Trimethyl-2-((E)-2-(2-phenyl-3-[(E)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-1-cyclopenten-1-yl)ethenyl)-3H-indolium tetrafluoroborate (CAS NO.246517-72-6) is:

Product Name: 1,3,3-Trimethyl-2-((E)-2-(2-phenyl-3-[(E)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-1-cyclopenten-1-yl)ethenyl)-3H-indolium tetrafluoroborate
CAS Registry Number: 246517-72-6
Molecular Formula: C37H39BF4N2
Molecular Weight: 598.52 
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 tetrafluoroborate 
SMILES: [B-](F)(F)(F)F.CC1(c2ccccc2[N+](=C1C=CC3=C(C(=CC=C4C(c5ccccc5N4C)(C)C)CC3)c6ccccc6)C)C
InChI: InChI=1/C37H39N2.BF4/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;/q+1;-1 
InChIKey: LMDKBJCTUWJMPL-UHFFFAOYAD
Std. InChI: InChI=1S/C37H39N2.BF4/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;/q+1;-1 
Std. InChIKey: LMDKBJCTUWJMPL-UHFFFAOYSA-N

Specification

 1,3,3-Trimethyl-2-((E)-2-(2-phenyl-3-[(E)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-1-cyclopenten-1-yl)ethenyl)-3H-indolium tetrafluoroborate , its cas register number is 246517-72-6. It also can be called 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-, tetrafluoroborate(1-) .