Pt2-18C6 | SBID = 2380 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2: 236.42
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 6.0
Charge: 0.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 0.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C48H38F12N18O8Pt2
M / g/mol: 1613.0679584
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: Pt2-18C6
  • Preferred Abbreviation: Pt2-18C6
  • IUPAC Name:
  • CAS:
  • CID: -994
  • InChiKey: FVVXFFGFGCAJLM-UHFFFAOYSA-N
  • InChi: InChI=1S/C26H32N4O8.2C11H3F6N7.2Pt/c1-19-23(25(31)29-21-3-7-27-8-4-21)37-17-13-34-12-16-36-20(2)24(38-18-14-33-11-15-35-19)26(32)30-22-5-9-28-10-6-22;2*12-10(13,14)8-19-6(21-23-8)4-2-1-3-5(18-4)7-20-9(24-22-7)11(15,16)17;;/h3-10,23-24H,1-2,11-18H2,(H,27,29,31)(H,28,30,32);2*1-3H;;/q;2*-2;2*+2
  • CanoSmiles: O=C(C1OCCOCCOC(=C)C(OCCOCCOC1=C)C(=O)NC1=CC=[N](C=C1)[Pt]12[N]3=C(c4n2nc(n4)C(F)(F)F)C=CC=C3c2n1nc(n2)C(F)(F)F)NC1=CC=[N](C=C1)[Pt]12[N]3=C(c4n2nc(n4)C(F)(F)F)C=CC=C3c2n1nc(n2)C(F)(F)F
  • IsoSmiles: C=C1C(C(NC(C=C2)=CC=[N]2[Pt]34[N]5=C(C6=NC(C(F)(F)F)=NN64)C=CC=C5C7=NC(C(F)(F)F)=NN73)=O)OCCOCCOC(C(C(NC(C=C8)=CC=[N]8[Pt]9%10[N]%11=C(C%12=NC(C(F)(F)F)=NN%12%10)C=CC=C%11C%13=NC(C(F)(F)F)=NN%139)=O)OCCOCCO1)=C