Cas no 87097-67-4 (iron(3+) chloride 5,10,15,20-tetrakis(4-aminophenyl)porphine-21,22-diide (1:1:1))
87097-67-4 structure
Product Name:iron(3+) chloride 5,10,15,20-tetrakis(4-aminophenyl)porphine-21,22-diide (1:1:1)
CAS No:87097-67-4
MF:C44H32ClFeN8
MW:764.076488494873
CID:1861942
PubChem ID:174609
Update Time:2025-04-21
iron(3+) chloride 5,10,15,20-tetrakis(4-aminophenyl)porphine-21,22-diide (1:1:1) Chemical and Physical Properties
Names and Identifiers
-
- iron(3+) chloride 5,10,15,20-tetrakis(4-aminophenyl)porphine-21,22-diide (1:1:1)
- iron(3+),4-[10,15,20-tris(4-aminophenyl)porphyrin-22,23-diid-5-yl]aniline,chloride
- (SP-4-1)-((4,4',4'',4'''-(21H,23H-Porpine-5,10,15,20-tetrayl)tetrakis(benzenaminato))(2-)-N21,N22,N23,N24)iron(1+) chloride
- 87097-67-4
- Iron(1+), ((4,4',4'',4'''-(21H,23H-porpine-5,10,15,20-tetrayl)tetrakis(benzenaminato))(2-)-N21,N22,N23,N24)-, chloride, (SP-4-1)-
-
- Inchi： 1S/C44H32N8.ClH.Fe/c45-29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(46)12-4-26)37-21-23-39(51-37)44(28-7-15-32(48)16-8-28)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(47)14-6-27;;/h1-24H,45-48H2;1H;/q-2;;+3/p-1/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;;
- InChI Key： OZGYLUYIRMENLZ-YKKPBKTHSA-M
- SMILES： [Fe+3].[Cl-].[N-]1C2C=CC1=C(C1C=CC(=CC=1)N)C1=CC=C(C(C3C=CC(=CC=3)N)=C3C=CC(C(C4C=CC(=CC=4)N)=C4C=CC(C=2C2C=CC(=CC=2)N)=N4)=N3)[N-]1 |c:45,t:5,27,40|
Computed Properties
- Exact Mass: 763.178788
- Monoisotopic Mass: 763.178788
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 54
- Rotatable Bond Count: 4
- Complexity: 921
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 132
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
iron(3+) chloride 5,10,15,20-tetrakis(4-aminophenyl)porphine-21,22-diide (1:1:1) Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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