mTHPC

CAS Registry Number®

122341-38-2
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CAS Name

mTHPC

Molecular Formula

C44H32N4O4

Molecular Mass

680.75

Cite this Page

mTHPC.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=122341-38-2 (retrieved 2024-04-24) (CAS RN: 122341-38-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    >250 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C44H32N4O4/c49-29-9-1-5-25(21-29)41-33-13-15-35(45-33)42(26-6-2-10-30(50)22-26)37-17-19-39(47-37)44(28-8-4-12-32(52)24-28)40-20-18-38(48-40)43(36-16-14-34(41)46-36)27-7-3-11-31(51)23-27/h1-17,19,21-24,46-47,49-52H,18,20H2/b41-33-,41-34?,42-35?,42-37-,43-36?,43-38-,44-39-,44-40?

InChIKey

InChIKey=LYPFDBRUNKHDGX-SOGSVHMOSA-N

SMILES

OC=1C=C(C=2C=3NC(=CC3)C(=C4N=C(C=C4)C(=C5NC(=C(C6=NC2CC6)C7=CC(O)=CC=C7)C=C5)C8=CC(O)=CC=C8)C9=CC(O)=CC=C9)C=CC1

Canonical SMILES

OC1=CC=CC(=C1)C2=C3N=C(C=C3)C(C=4C=CC=C(O)C4)=C5C=CC(N5)=C(C=6C=CC=C(O)C6)C7=NC(=C(C=8C=CC=C(O)C8)C9=CC=C2N9)CC7

Other Names for this Substance

  • Phenol, 3,3′,3′′,3′′′-(7,8-dihydro-21H,23H-porphine-5,10,15,20-tetrayl)tetrakis-
  • 3,3′,3′′,3′′′-(7,8-Dihydro-21H,23H-porphine-5,10,15,20-tetrayl)tetrakis[phenol]
  • 5,10,15,20-Tetra(m-hydroxyphenyl)chlorin
  • Temoporfin
  • 3,3′,3′′,3′′′-(7,8-Dihydroporphyrin-5,10,15,20-tetrayl)tetraphenol

View All

Deleted or Replaced CAS Registry Numbers

851449-56-4, 1430406-65-7

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