silicon(IV) phthalocyanine | SBID = 1997 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 5
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 2.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 2.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C42H42N10O2Si++
M / g/mol: 746.93418
Complexity:
Number of Conformers:

Identifiers

  • Tags: imaging probe
  • Name: silicon(IV) phthalocyanine
  • Preferred Abbreviation: silicon(IV) phthalocyanine
  • IUPAC Name:
  • CAS:
  • CID: -852
  • InChiKey: GLTKKFJPNYAQSC-UHFFFAOYSA-N
  • InChi: InChI=1S/C42H42N10O2Si/c1-51(2,3)23-25-53-55(54-26-24-52(4,5)6)49-39-31-19-11-12-20-32(31)41(49)47-37-29-17-9-10-18-30(29)38(44-37)48-42-34-22-14-13-21-33(34)40(50(42)55)46-36-28-16-8-7-15-27(28)35(43-36)45-39/h7-22H,23-26H2,1-6H3/q+2
  • CanoSmiles: C[N+](CCO[Si]1(OCC[N+](C)(C)C)n2c3/N=C/4\N=C(/N=c/5\n1/c(=N\C1=N/C(=N\c2c2c3cccc2)/c2c1cccc2)/c1c5cccc1)c1c4cccc1)(C)C
  • IsoSmiles: C[N+](C)(C)CCO[Si]1(OCC[N+](C)(C)C)N2/C3=N\C(C4=C/5C=CC=C4)=NC5=N/C6=C(C=CC=C7)C7=C(/N=C8C(C=CC=C9)=C9C(/N=C2/C%10=C3C=CC=C%10)=N/8)N61