5, 10, 15, 20-Tetrakis-(4-sulfonatophenyl)-porphyrin | SBID = 1471 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: -4.0
Number of H-Bond Donors: 2.0
Number of H-Bond Acceptors: 14.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C44H26N4O12S4----
M / g/mol: 930.956840000001
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest, dye, charged
  • Name: 5, 10, 15, 20-Tetrakis-(4-sulfonatophenyl)-porphyrin
  • Preferred Abbreviation: 5, 10, 15, 20-Tetrakis-(4-sulfonatophenyl)-porphyrin
  • IUPAC Name:
  • CAS:
  • CID: -556
  • InChiKey: PBHVCRIXMXQXPD-LWQDQPMZSA-J
  • InChi: InChI=1S/C44H30N4O12S4/c49-61(50,51)29-9-1-25(2-10-29)41-33-17-19-35(45-33)42(26-3-11-30(12-4-26)62(52,53)54)37-21-23-39(47-37)44(28-7-15-32(16-8-28)64(58,59)60)40-24-22-38(48-40)43(36-20-18-34(41)46-36)27-5-13-31(14-6-27)63(55,56)57/h1-24,45,48H,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)/p-4/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
  • CanoSmiles: [O-]S(=O)(c1ccc(/C2=C3C=CC(/C(c4ccc(S(=O)([O-])=O)cc4)=C5C=C/C(N/5)=C(c6ccc(S(=O)([O-])=O)cc6)/C7=N/C(C=C7)=C(c8ccc(S(=O)([O-])=O)cc8)\C9=CC=C2N9)=N\3)cc1)=O
  • IsoSmiles: [O-]S(=O)(c1ccc(/C2=C3C=CC(/C(c4ccc(S(=O)([O-])=O)cc4)=C5C=C/C(N/5)=C(c6ccc(S(=O)([O-])=O)cc6)/C7=N/C(C=C7)=C(c8ccc(S(=O)([O-])=O)cc8)\C9=CC=C2N9)=N\3)cc1)=O