5,10,15,20-Tetrakis(pentafluorophenyl)-21H,23H-porphyrin iron(III) chloride

• CAS: 36965-71-6
• Catalog Number: ACM36965716-1
• Category: Organic & Printed Electronics
• Molecular Weight: 1063.83
• Molecular Formula: C₄₄H₈ClF₂₀FeN₄
• Synonyms: RARECHEM AS SA 0030;5,10,15,20-TETRAKIS(PENTAFLUOROPHENYL)PORPHYRIN IRON(III) CHLORIDE COMPLEX;5,10,15,20-TETRAKIS(PENTAFLUOROPHENYL)-21H,23H-PORPHINE IRON(III) CHLORIDE;5,10,15,20-TETRAKIS-(2,3,4,5,6-PENTAFLUOROPHENYL)-PORPHYRIN-FE(III)CHLORIDE;5,10,15,2
• IUPAC Name: iron(2+);10,12,13,23-tetrakis(2,3,4,5,6-pentafluorophenyl)-21H-porphyrin;dichloride
• Canonical SMILES: C1=CC2=CC3=NC(=C(C4=C(C(=C(N4C5=C(C(=C(C(=C5F)F)F)F)F)C=C6C=CC(=N6)C=C1N2)C7=C(C(=C(C(=C7F)F)F)F)F)C8=C(C(=C(C(=C8F)F)F)F)F)C9=C(C(=C(C(=C9F)F)F)F)F)C=C3.[Cl-].[Cl-].[Fe+2]
• InChI: InChI=1S/C44H10F20N4.2ClH.Fe/c45-23-20(24(46)30(52)35(57)29(23)51)17-15-6-5-13(67-15)8-12-2-1-10(65-12)7-11-3-4-14(66-11)9-16-18(21-25(47)31(53)36(58)32(54)26(21)48)19(22-27(49)33(55)37(59)34(56)28(22)50)43(17)68(16)44-41(63)39(61)38(60)40(62)42(44)64;;;/h1-9,65H;2*1H;/q;;;+2/p-2
• InChI Key: OFOJZPSXEPSRPZ-UHFFFAOYSA-L
• Storage: room temperature
• Complexity: 1670
• Covalently-Bonded Unit Count: 4
• Exact Mass: 1099.931251g/mol
• Formal Charge: 0
• H-Bond Acceptor: 24
• H-Bond Donor: 1
• Heavy Atom Count: 71
• Monoisotopic Mass: 1099.931251g/mol
• Rotatable Bond Count: 4