1-Propanaminium, 3,3′-[21H,23H-porphine-5,15-diylbis(4,1-phenyleneoxy)]bis[N,N,N-trimethyl-, chloride (1:2)

CAS Registry Number®

718638-68-7
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CAS Name

1-Propanaminium, 3,3′-[21H,23H-porphine-5,15-diylbis(4,1-phenyleneoxy)]bis[N,N,N-trimethyl-, chloride (1:2)

Molecular Formula

C44H50N6O2.2Cl

Cite this Page

1-Propanaminium, 3,3′-[21H,23H-porphine-5,15-diylbis(4,1-phenyleneoxy)]bis[N,N,N-trimethyl-, chloride (1:2).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=718638-68-7 (retrieved 2024-04-25) (CAS RN: 718638-68-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C44H50N6O2.2ClH/c1-49(2,3)25-7-27-51-37-17-9-31(10-18-37)43-39-21-13-33(45-39)29-35-15-23-41(47-35)44(42-24-16-36(48-42)30-34-14-22-40(43)46-34)32-11-19-38(20-12-32)52-28-8-26-50(4,5)6;;/h9-24,29-30,45,48H,7-8,25-28H2,1-6H3;2*1H/q+2;;/p-2/b33-29-,34-30-,35-29?,36-30?,43-39-,43-40?,44-41-,44-42?;;

InChIKey

InChIKey=KJLHJQGDBJNMPU-YNSFKHHCSA-L

SMILES

O(CCC[N+](C)(C)C)C1=CC=C(C=2C=3NC(=CC3)C=C4N=C(C=C4)C(=C5NC(=CC6=NC2C=C6)C=C5)C7=CC=C(OCCC[N+](C)(C)C)C=C7)C=C1.[Cl-]

Canonical SMILES

[Cl-].N=1C=2C=CC1C(C3=CC=C(OCCC[N+](C)(C)C)C=C3)=C4C=CC(=CC5=NC(C=C5)=C(C6=CC=C(OCCC[N+](C)(C)C)C=C6)C7=CC=C(C2)N7)N4

Other Names for this Substance

  • 1-Propanaminium, 3,3′-[21H,23H-porphine-5,15-diylbis(4,1-phenyleneoxy)]bis[N,N,N-trimethyl-, chloride (1:2)
  • 1-Propanaminium, 3,3′-[21H,23H-porphine-5,15-diylbis(4,1-phenyleneoxy)]bis[N,N,N-trimethyl-, dichloride
  • XF 73
  • Exeporfinium chloride

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