Octaethylporphyrin

CAS Registry Number®

2683-82-1
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CAS Name

Octaethylporphyrin

Molecular Formula

C36H46N4

Molecular Mass

534.78

Cite this Page

Octaethylporphyrin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=2683-82-1 (retrieved 2024-04-29) (CAS RN: 2683-82-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    >300 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C36H46N4/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30/h17-20,37,40H,9-16H2,1-8H3/b29-17-,30-18-,31-17?,32-18?,33-19-,34-20-,35-19?,36-20?

InChIKey

InChIKey=HCIIFBHDBOCSAF-UKMKPXHGSA-N

SMILES

C(C)C=1C(CC)=C2NC1C=C3C(CC)=C(CC)C(=N3)C=C4C(CC)=C(CC)C(=CC5=NC(=C2)C(CC)=C5CC)N4

Canonical SMILES

N1=C2C=C3NC(=CC4=NC(=CC=5NC(C=C1C(=C2CC)CC)=C(C5CC)CC)C(=C4CC)CC)C(=C3CC)CC

Other Names for this Substance

  • 21H,23H-Porphine, 2,3,7,8,12,13,17,18-octaethyl-
  • Porphine, 2,3,7,8,12,13,17,18-octaethyl-
  • Porphine, 1,2,3,4,5,6,7,8-octaethyl-
  • 2,3,7,8,12,13,17,18-Octaethyl-21H,23H-porphine
  • Octaethylporphyrin

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Deleted or Replaced CAS Registry Numbers

106117-28-6, 991-75-3

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