2-((5,5,10,10,15,15,20,20-octamethyl-5H,10H,15H,20H,22H,24H-porphyrin-2-yl)methylene)-1H-indene-1,3(2H)-dione | SBID = 2407 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 5
PubChem TPSA/Å2:
Ertl TPSA/Å2: 97.3
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 7.49
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: C38H40N4O2
M / g/mol: 584.7498
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: 2-((5,5,10,10,15,15,20,20-octamethyl-5H,10H,15H,20H,22H,24H-porphyrin-2-yl)methylene)-1H-indene-1,3(2H)-dione
  • Preferred Abbreviation: pyrrole indene dione
  • IUPAC Name:
  • CAS:
  • CID: -1008
  • InChiKey: YLQGSFQMNYPJMH-UHFFFAOYSA-N
  • InChi: InChI=1S/C38H40N4O2/c1-35(2)25-13-14-26(39-25)36(3,4)28-17-18-30(41-28)38(7,8)34-21(19-24-32(43)22-11-9-10-12-23(22)33(24)44)20-31(42-34)37(5,6)29-16-15-27(35)40-29/h9-20,39-42H,1-8H3
  • CanoSmiles: O=C1C(=Cc2cc3[nH]c2C(C)(C)c2ccc([nH]2)C(C)(C)c2ccc(C(c4[nH]c(C3(C)C)cc4)(C)C)[nH]2)C(=O)c2c1cccc2
  • IsoSmiles: O=C1/C(C(C2=C1C=CC=C2)=O)=C\C3=C(C(C)(C)C4=CC=C(C(C)(C)C5=CC=C(C(C)(C)C6=CC=C(C7(C)C)N6)N5)N4)NC7=C3