Nickel tetraphenylporphyrin

CAS Registry Number®

14172-92-0

CAS Name

Nickel tetraphenylporphyrin

Molecular Formula

C44H28N4Ni

Cite this Page

Nickel tetraphenylporphyrin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=14172-92-0 (retrieved 2024-11-23) (CAS RN: 14172-92-0).  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/C44H28N4.Ni/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;/h1-28H;/q-2;+2/b41-33-,41-34?,42-35-,42-37?,43-36-,43-38?,44-39-,44-40?;

InChIKey

InChIKey=CXIRWLOIAQYBLZ-JJUIXLEHSA-N

SMILES

[Ni+2]123[N-]4C5=C(C6=[N]1C(=C(C=7[N-]2C(C(=C8[N]3=C(C(=C4C=C5)C9=CC=CC=C9)C=C8)C%10=CC=CC=C%10)=CC7)C%11=CC=CC=C%11)C=C6)C%12=CC=CC=C%12

Canonical SMILES

C=1C=CC(=CC1)C=2C=3C=CC4=C(C=5C=CC=CC5)C6=CC=C7C(C=8C=CC=CC8)=C9C=CC=%10C(C=%11C=CC=CC%11)=C%12C=CC2[N-]%12[Ni+2]([N]34)([N]%109)[N-]67

Other Names for this Substance

  • Nickel, [5,10,15,20-tetraphenyl-21H,23H-porphinato(2-)-κN21,κN22,κN23,κN24]-, (SP-4-1)-
  • Nickel, [5,10,15,20-tetraphenylporphinato(2-)]-
  • Nickel, [5,10,15,20-tetraphenyl-21H,23H-porphinato(2-)-N21,N22,N23,N24]-, (SP-4-1)-
  • Nickel, [α,β,γ,δ-tetraphenylporphinato(2-)]-
  • Porphine, α,β,γ,δ-tetraphenyl-, Ni deriv.

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