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Substance Name: 3H-Indolium, 1-heptyl-2-(3-(1-heptyl-1,3-dihydro-3,3-dimethyl-2H-indol-2-ylidene)-1-propen-1-yl)-3,3-dimethyl-, (T-4)-butyltriphenylborate(1-) (1:1)
RN: 117522-03-9
InChIKey: XZEXJMXJPWRHPM-UHFFFAOYSA-N

Classification Code

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C37-H53-N2.C22-H24-B

Molecular Weight

  • 825.0823
 
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Names and Synonyms

Synonym

  • 1,1'-Diheptyl-3,3,3',3'-tetramethylindocarbocyanine

Systematic Names

  • 3H-Indolium, 1-heptyl-2-(3-(1-heptyl-1,3-dihydro-3,3-dimethyl-2H-indol-2-ylidene)-1-propen-1-yl)-3,3-dimethyl-, (T-4)-butyltriphenylborate(1-) (1:1)
  • 3H-Indolium, 1-heptyl-2-(3-(1-heptyl-1,3-dihydro-3,3-dimethyl-2H-indol-2-ylidene)-1-propenyl)-3,3-dimethyl-, (T-4)-butyltriphenylborate(1-)

Registry Numbers

CAS Registry Number

  • 117522-03-9

Other Registry Number

  • 125063-87-8

System Generated Number

  • 0117522039

Molecular Formulas

Molecular Formula

  • C37-H53-N2.C22-H24-B

Molecular Formula Fragments

  • C22-H24-B
  • C37-H53-N2
  • COMPONENT

Structure Descriptors

InChI

1S/C37H53N2.C22H24B/c1-7-9-11-13-19-28-38-32-24-17-15-22-30(32)36(3,4)34(38)26-21-27-35-37(5,6)31-23-16-18-25-33(31)39(35)29-20-14-12-10-8-2;1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h15-18,21-27H,7-14,19-20,28-29H2,1-6H3;4-18H,2-3,19H2,1H3/q+1;-1

InChIKey

XZEXJMXJPWRHPM-UHFFFAOYSA-N

Smiles

[N+]1(=C(C(c2c1cccc2)(C)C)/C=C/C=C1\N(c2c(C1(C)C)cccc2)CCCCCCC)CCCCCCC.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)CCCC