(E)-2-(3-cyano-5,5-diethyl-4-(2-(5,5,10,10,15,15,20,20-octamethyl-5H,10H,15H,20H,22H,24H-porphyrin-2-yl)vinyl)furan-2(5H)-ylidene)malononitrile | SBID = 2406 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 6
PubChem TPSA/Å2:
Ertl TPSA/Å2: 143.76
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 7.38
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: C42H47N7O
M / g/mol: 665.86888
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical host
  • Name: (E)-2-(3-cyano-5,5-diethyl-4-(2-(5,5,10,10,15,15,20,20-octamethyl-5H,10H,15H,20H,22H,24H-porphyrin-2-yl)vinyl)furan-2(5H)-ylidene)malononitrile
  • Preferred Abbreviation: Furan malononitrile pyrrole
  • IUPAC Name:
  • CAS:
  • CID: -1007
  • InChiKey: QZEMVYWLKNJPTJ-UHFFFAOYSA-N
  • InChi: InChI=1S/C42H47N7O/c1-11-42(12-2)28(27(24-45)36(50-42)26(22-43)23-44)14-13-25-21-35-40(7,8)33-18-17-31(47-33)38(3,4)29-15-16-30(46-29)39(5,6)32-19-20-34(48-32)41(9,10)37(25)49-35/h13-21,46-49H,11-12H2,1-10H3
  • CanoSmiles: N#CC(=C1OC(C(=C1C#N)/C=C/c1cc2[nH]c1C(C)(C)c1ccc([nH]1)C(C)(C)c1ccc(C(c3[nH]c(C2(C)C)cc3)(C)C)[nH]1)(CC)CC)C#N
  • IsoSmiles: CCC(O/1)(CC)C(/C=C/C2=C(C(C)(C)C3=CC=C(C(C)(C)C4=CC=C(C(C)(C)C5=CC=C(C6(C)C)N5)N4)N3)NC6=C2)=C(C#N)C1=C(C#N)/C#N