9-((5,5,10,10,15,15,20,20-octamethyl-5H,10H,15H,20H,22H,24H-porphyrin-2-yl)methylene)-9H-fluorene-2,7-dicarbonitrile | SBID = 2409 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 6
PubChem TPSA/Å2:
Ertl TPSA/Å2: 110.74
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 8.57
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: C44H42N6
M / g/mol: 654.84448
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: 9-((5,5,10,10,15,15,20,20-octamethyl-5H,10H,15H,20H,22H,24H-porphyrin-2-yl)methylene)-9H-fluorene-2,7-dicarbonitrile
  • Preferred Abbreviation: Pyrrole fluorene dicarbonitrile
  • IUPAC Name:
  • CAS:
  • CID: -1010
  • InChiKey: YMMAJKFFOYXZKZ-UHFFFAOYSA-N
  • InChi: InChI=1S/C44H42N6/c1-41(2)33-13-14-34(47-33)42(3,4)36-17-18-38(49-36)44(7,8)40-27(22-39(50-40)43(5,6)37-16-15-35(41)48-37)21-32-30-19-25(23-45)9-11-28(30)29-12-10-26(24-46)20-31(29)32/h9-22,47-50H,1-8H3
  • CanoSmiles: N#Cc1ccc2-c3c(C(=Cc4cc5[nH]c4C(C)(C)c4ccc([nH]4)C(C)(C)c4ccc(C(c6[nH]c(C5(C)C)cc6)(C)C)[nH]4)c2c1)cc(cc3)C#N
  • IsoSmiles: CC(C1=CC=C(C2(C)C)N1)(C)C3=CC=C(C(C)(C)C4=CC=C(C(C)(C)C5=C(/C=C6C7=C(C=CC(C#N)=C7)C8=CC=C(C#N)C=C8\6)C=C2N5)N4)N3