zinc 5,10,15,20-tetrakis(trifluoromethyl)porphyrin-22,24-diide

C24H8F12N4Zn — CID 15907480

IUPACzinc 5,10,15,20-tetrakis(trifluoromethyl)porphyrin-22,24-diide
SMILESFC(F)(F)c1c2nc(c(C(F)(F)F)c3ccc([n-]3)c(C(F)(F)F)c3nc(c(C(F)(F)F)c4ccc1[n-]4)C=C3)C=C2.[Zn+2]
InChIInChI=1S/C24H8F12N4.Zn/c25-21(26,27)17-9-1-2-10(37-9)18(22(28,29)30)12-5-6-14(39-12)20(24(34,35)36)16-8-7-15(40-16)19(23(31,32)33)13-4-3-11(17)38-13;/h1-8H;/q-2;+2/b17-9+,17-11+,18-10+,18-12+,19-13+,19-15+,20-14+,20-16+;
InChIKeyHVSFTYLFHSNRAZ-HQJDZOCDSA-N
MW645.72 g/mol
LogP7.99
Rot. Bonds

About zinc 5,10,15,20-tetrakis(trifluoromethyl)porphyrin-22,24-diide

zinc 5,10,15,20-tetrakis(trifluoromethyl)porphyrin-22,24-diide (PubChem CID 15907480) has the molecular formula C24H8F12N4Zn and a molecular weight of 645.72 g/mol. Its IUPAC name is zinc 5,10,15,20-tetrakis(trifluoromethyl)porphyrin-22,24-diide.

Molecular Properties

Compound Namezinc 5,10,15,20-tetrakis(trifluoromethyl)porphyrin-22,24-diide
PubChem CID15907480
Molecular FormulaC24H8F12N4Zn
Molecular Weight645.72 g/mol
Exact Mass643.98
IUPAC Namezinc 5,10,15,20-tetrakis(trifluoromethyl)porphyrin-22,24-diide
SMILESFC(F)(F)c1c2nc(c(C(F)(F)F)c3ccc([n-]3)c(C(F)(F)F)c3nc(c(C(F)(F)F)c4ccc1[n-]4)C=C3)C=C2.[Zn+2]
InChIInChI=1S/C24H8F12N4.Zn/c25-21(26,27)17-9-1-2-10(37-9)18(22(28,29)30)12-5-6-14(39-12)20(24(34,35)36)16-8-7-15(40-16)19(23(31,32)33)13-4-3-11(17)38-13;/h1-8H;/q-2;+2/b17-9+,17-11+,18-10+,18-12+,19-13+,19-15+,20-14+,20-16+;
InChIKeyHVSFTYLFHSNRAZ-HQJDZOCDSA-N
XLogP7.99
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.72
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2,7,12,17,22,27,32,37,42,47-decakis(trifluoromethyl)-51,52,53,54,55,56,57,58,59,60-decazaundecacyclo[46.2.1.13,6.18,11.113,16.118,21.123,26.128,31.133,36.138,41.143,46]hexaconta-1(51),2,4,6,8,10,12,14,16(58),17,19,21,23(56),24,26,28,30,32,34,36,38(53),39,41,43,45,47,49-heptacosaene
CID 136859231
zinc 2-trimethylsilylethyl 4-[15-(4-iodophenyl)-10,20-bis(trifluoromethyl)porphyrin-22,24-diid-5-yl]benzoate
CID 11803926
5,10,15,20-tetrakis(trifluoromethyl)-21,22-dihydroporphyrin
CID 10099782
dizinc;4-[15-[4-[2-[4-[15-[4-[2-[4-[15-(4-carboxyphenyl)-10,20-bis(trifluoromethyl)porphyrin-22,24-diid-5-yl]phenyl]ethynyl]-2,6-dimethylphenyl]-10,20-bis(trifluoromethyl)-21,23-dihydroporphyrin-5-yl]-3,5-dimethylphenyl]ethynyl]phenyl]-10,20-bis(trifluoromethyl)porphyrin-22,24-diid-5-yl]benzoic acid
CID 22835066
gold;5,10,15,20-tetramethylporphyrin-22,24-diide
CID 162468805
dizinc;5,10,15-triphenyl-20-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)porphyrin-22,24-diide
CID 134908932
carbanide;cobalt;5,10,15-tris(2,3,4,5,6-pentafluorophenyl)corrin-21,23,24-triide
CID 22986605
silver;5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 129011721
osmium(2+);5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide
CID 10213009
copper(1+);5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 5260273
palladium(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 58273727
10,20-diphenyl-5,15-bis(trifluoromethyl)-21,22-dihydroporphyrin
CID 10723040

Frequently Asked Questions

What is the IUPAC name of zinc 5,10,15,20-tetrakis(trifluoromethyl)porphyrin-22,24-diide?
The IUPAC name of zinc 5,10,15,20-tetrakis(trifluoromethyl)porphyrin-22,24-diide (CID 15907480) is zinc 5,10,15,20-tetrakis(trifluoromethyl)porphyrin-22,24-diide.
What is the SMILES notation for zinc 5,10,15,20-tetrakis(trifluoromethyl)porphyrin-22,24-diide?
The canonical SMILES for zinc 5,10,15,20-tetrakis(trifluoromethyl)porphyrin-22,24-diide is FC(F)(F)c1c2nc(c(C(F)(F)F)c3ccc([n-]3)c(C(F)(F)F)c3nc(c(C(F)(F)F)c4ccc1[n-]4)C=C3)C=C2.[Zn+2].
What is the InChIKey of zinc 5,10,15,20-tetrakis(trifluoromethyl)porphyrin-22,24-diide?
The InChIKey is HVSFTYLFHSNRAZ-HQJDZOCDSA-N. The full InChI is InChI=1S/C24H8F12N4.Zn/c25-21(26,27)17-9-1-2-10(37-9)18(22(28,29)30)12-5-6-14(39-12)20(24(34,35)36)16-8-7-15(40-16)19(23(31,32)33)13-4-3-11(17)38-13;/h1-8H;/q-2;+2/b17-9+,17-11+,18-10+,18-12+,19-13+,19-15+,20-14+,20-16+;.
What are the key properties of zinc 5,10,15,20-tetrakis(trifluoromethyl)porphyrin-22,24-diide?
zinc 5,10,15,20-tetrakis(trifluoromethyl)porphyrin-22,24-diide has a molecular weight of 645.72 g/mol, XLogP of 7.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc 5,10,15,20-tetrakis(trifluoromethyl)porphyrin-22,24-diide is sourced from PubChem (CID 15907480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).