manganese(3+);trimethyl-[2,3,5,6-tetrafluoro-4-[10,15,20-tris[2,3,5,6-tetrafluoro-4-(trimethylazaniumyl)phenyl]porphyrin-22,24-diid-5-yl]phenyl]azanium;pentahexafluorophosphate

C56H44F46MnN8P5 — CID 10725264

IUPACmanganese(3+);trimethyl-[2,3,5,6-tetrafluoro-4-[10,15,20-tris[2,3,5,6-tetrafluoro-4-(trimethylazaniumyl)phenyl]porphyrin-22,24-diid-5-yl]phenyl]azanium;pentahexafluorophosphate
SMILESC[N+](C)(C)c1c(F)c(F)c(-c2c3nc(c(-c4c(F)c(F)c([N+](C)(C)C)c(F)c4F)c4ccc([n-]4)c(-c4c(F)c(F)c([N+](C)(C)C)c(F)c4F)c4nc(c(-c5c(F)c(F)c([N+](C)(C)C)c(F)c5F)c5ccc2[n-]5)C=C4)C=C3)c(F)c1F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Mn+3]
InChIInChI=1S/C56H44F16N8.5F6P.Mn/c1-77(2,3)53-45(65)37(57)33(38(58)46(53)66)29-21-13-15-23(73-21)30(34-39(59)47(67)54(78(4,5)6)48(68)40(34)60)25-17-19-27(75-25)32(36-43(63)51(71)56(80(10,11)12)52(72)44(36)64)28-20-18-26(76-28)31(24-16-14-22(29)74-24)35-41(61)49(69)55(79(7,8)9)50(70)42(35)62;5*1-7(2,3,4,5)6;/h13-20H,1-12H3;;;;;;/q+2;5*-1;+3/b29-21+,29-22+,30-23+,30-25+,31-24+,31-26+,32-27+,32-28+;;;;;;
InChIKeyFHLQYGKTIDZRSP-FEPBTTGASA-N
MW1912.74 g/mol
LogP30.50
Rot. Bonds8

About manganese(3+);trimethyl-[2,3,5,6-tetrafluoro-4-[10,15,20-tris[2,3,5,6-tetrafluoro-4-(trimethylazaniumyl)phenyl]porphyrin-22,24-diid-5-yl]phenyl]azanium;pentahexafluorophosphate

manganese(3+);trimethyl-[2,3,5,6-tetrafluoro-4-[10,15,20-tris[2,3,5,6-tetrafluoro-4-(trimethylazaniumyl)phenyl]porphyrin-22,24-diid-5-yl]phenyl]azanium;pentahexafluorophosphate (PubChem CID 10725264) has the molecular formula C56H44F46MnN8P5 and a molecular weight of 1912.74 g/mol. Its IUPAC name is manganese(3+);trimethyl-[2,3,5,6-tetrafluoro-4-[10,15,20-tris[2,3,5,6-tetrafluoro-4-(trimethylazaniumyl)phenyl]porphyrin-22,24-diid-5-yl]phenyl]azanium;pentahexafluorophosphate.

Molecular Properties

Compound Namemanganese(3+);trimethyl-[2,3,5,6-tetrafluoro-4-[10,15,20-tris[2,3,5,6-tetrafluoro-4-(trimethylazaniumyl)phenyl]porphyrin-22,24-diid-5-yl]phenyl]azanium;pentahexafluorophosphate
PubChem CID10725264
Molecular FormulaC56H44F46MnN8P5
Molecular Weight1912.74 g/mol
Exact Mass1912.10
IUPAC Namemanganese(3+);trimethyl-[2,3,5,6-tetrafluoro-4-[10,15,20-tris[2,3,5,6-tetrafluoro-4-(trimethylazaniumyl)phenyl]porphyrin-22,24-diid-5-yl]phenyl]azanium;pentahexafluorophosphate
SMILESC[N+](C)(C)c1c(F)c(F)c(-c2c3nc(c(-c4c(F)c(F)c([N+](C)(C)C)c(F)c4F)c4ccc([n-]4)c(-c4c(F)c(F)c([N+](C)(C)C)c(F)c4F)c4nc(c(-c5c(F)c(F)c([N+](C)(C)C)c(F)c5F)c5ccc2[n-]5)C=C4)C=C3)c(F)c1F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Mn+3]
InChIInChI=1S/C56H44F16N8.5F6P.Mn/c1-77(2,3)53-45(65)37(57)33(38(58)46(53)66)29-21-13-15-23(73-21)30(34-39(59)47(67)54(78(4,5)6)48(68)40(34)60)25-17-19-27(75-25)32(36-43(63)51(71)56(80(10,11)12)52(72)44(36)64)28-20-18-26(76-28)31(24-16-14-22(29)74-24)35-41(61)49(69)55(79(7,8)9)50(70)42(35)62;5*1-7(2,3,4,5)6;/h13-20H,1-12H3;;;;;;/q+2;5*-1;+3/b29-21+,29-22+,30-23+,30-25+,31-24+,31-26+,32-27+,32-28+;;;;;;
InChIKeyFHLQYGKTIDZRSP-FEPBTTGASA-N
XLogP30.50
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms116
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001912.74
LogP ≤ 530.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze manganese(3+);trimethyl-[2,3,5,6-tetrafluoro-4-[10,15,20-tris[2,3,5,6-tetrafluoro-4-(trimethylazaniumyl)phenyl]porphyrin-22,24-diid-5-yl]phenyl]azanium;pentahexafluorophosphate with MolForge

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Related Compounds

carbanide;cobalt;5,10,15-tris(2,3,4,5,6-pentafluorophenyl)corrin-21,23,24-triide
CID 22986605
zinc (2R,3S)-5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)-2,3-dihydroporphyrin-22,24-diide-2,3-diol
CID 57382446
osmium(2+);5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide
CID 10213009
zinc 33,42-bis(2,3,4,5,6-pentafluorophenyl)-11,18-dioxa-47,49-diaza-48,50-diazanidaundecacyclo[26.9.9.213,16.12,6.119,23.129,32.134,37.138,41.143,46.010,54.027,51]tetrapentaconta-1(38),2,4,6(54),7,9,13(53),14,16(52),19,21,23(51),24,26,28(46),29,31,33,35,37(49),39,41,43(47),44-tetracosaene
CID 22835256
iron(2+);5,10,15,20-tetrakis(2,6-dichlorophenyl)porphyrin-22,24-diide
CID 140665842
platinum(2+);5,10,15,20-tetrakis(2,6-dichlorophenyl)porphyrin-22,24-diide
CID 177026078
dizinc;5,10,15-triphenyl-20-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)porphyrin-22,24-diide
CID 134908932
hydrogen peroxide;oxomolybdenum;5,10,15,20-tetrakis(2,4,6-trimethylphenyl)porphyrin-22,24-diide
CID 11468703
manganese(2+);5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)porphyrin-22,24-diide
CID 59992177
palladium(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 58273727
silver;5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 129011721
nickel(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 3732295

Frequently Asked Questions

What is the IUPAC name of manganese(3+);trimethyl-[2,3,5,6-tetrafluoro-4-[10,15,20-tris[2,3,5,6-tetrafluoro-4-(trimethylazaniumyl)phenyl]porphyrin-22,24-diid-5-yl]phenyl]azanium;pentahexafluorophosphate?
The IUPAC name of manganese(3+);trimethyl-[2,3,5,6-tetrafluoro-4-[10,15,20-tris[2,3,5,6-tetrafluoro-4-(trimethylazaniumyl)phenyl]porphyrin-22,24-diid-5-yl]phenyl]azanium;pentahexafluorophosphate (CID 10725264) is manganese(3+);trimethyl-[2,3,5,6-tetrafluoro-4-[10,15,20-tris[2,3,5,6-tetrafluoro-4-(trimethylazaniumyl)phenyl]porphyrin-22,24-diid-5-yl]phenyl]azanium;pentahexafluorophosphate.
What is the SMILES notation for manganese(3+);trimethyl-[2,3,5,6-tetrafluoro-4-[10,15,20-tris[2,3,5,6-tetrafluoro-4-(trimethylazaniumyl)phenyl]porphyrin-22,24-diid-5-yl]phenyl]azanium;pentahexafluorophosphate?
The canonical SMILES for manganese(3+);trimethyl-[2,3,5,6-tetrafluoro-4-[10,15,20-tris[2,3,5,6-tetrafluoro-4-(trimethylazaniumyl)phenyl]porphyrin-22,24-diid-5-yl]phenyl]azanium;pentahexafluorophosphate is C[N+](C)(C)c1c(F)c(F)c(-c2c3nc(c(-c4c(F)c(F)c([N+](C)(C)C)c(F)c4F)c4ccc([n-]4)c(-c4c(F)c(F)c([N+](C)(C)C)c(F)c4F)c4nc(c(-c5c(F)c(F)c([N+](C)(C)C)c(F)c5F)c5ccc2[n-]5)C=C4)C=C3)c(F)c1F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Mn+3].
What is the InChIKey of manganese(3+);trimethyl-[2,3,5,6-tetrafluoro-4-[10,15,20-tris[2,3,5,6-tetrafluoro-4-(trimethylazaniumyl)phenyl]porphyrin-22,24-diid-5-yl]phenyl]azanium;pentahexafluorophosphate?
The InChIKey is FHLQYGKTIDZRSP-FEPBTTGASA-N. The full InChI is InChI=1S/C56H44F16N8.5F6P.Mn/c1-77(2,3)53-45(65)37(57)33(38(58)46(53)66)29-21-13-15-23(73-21)30(34-39(59)47(67)54(78(4,5)6)48(68)40(34)60)25-17-19-27(75-25)32(36-43(63)51(71)56(80(10,11)12)52(72)44(36)64)28-20-18-26(76-28)31(24-16-14-22(29)74-24)35-41(61)49(69)55(79(7,8)9)50(70)42(35)62;5*1-7(2,3,4,5)6;/h13-20H,1-12H3;;;;;;/q+2;5*-1;+3/b29-21+,29-22+,30-23+,30-25+,31-24+,31-26+,32-27+,32-28+;;;;;;.
What are the key properties of manganese(3+);trimethyl-[2,3,5,6-tetrafluoro-4-[10,15,20-tris[2,3,5,6-tetrafluoro-4-(trimethylazaniumyl)phenyl]porphyrin-22,24-diid-5-yl]phenyl]azanium;pentahexafluorophosphate?
manganese(3+);trimethyl-[2,3,5,6-tetrafluoro-4-[10,15,20-tris[2,3,5,6-tetrafluoro-4-(trimethylazaniumyl)phenyl]porphyrin-22,24-diid-5-yl]phenyl]azanium;pentahexafluorophosphate has a molecular weight of 1912.74 g/mol, XLogP of 30.50, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for manganese(3+);trimethyl-[2,3,5,6-tetrafluoro-4-[10,15,20-tris[2,3,5,6-tetrafluoro-4-(trimethylazaniumyl)phenyl]porphyrin-22,24-diid-5-yl]phenyl]azanium;pentahexafluorophosphate is sourced from PubChem (CID 10725264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).