5,10,15,20-tetrakis(trifluoromethyl)-21,22-dihydroporphyrin

C24H10F12N4 — CID 10099782

IUPAC5,10,15,20-tetrakis(trifluoromethyl)-21,22-dihydroporphyrin
SMILESFC(F)(F)c1c2nc(c(C(F)(F)F)c3ccc([nH]3)c(C(F)(F)F)c3ccc([nH]3)c(C(F)(F)F)c3nc1C=C3)C=C2
InChIInChI=1S/C24H10F12N4/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/h1-8,37-38H/b17-9+,17-11+,18-10+,18-12+,19-13+,19-15+,20-14+,20-16+
InChIKeyVIUYILPFSAJCRY-OTHQCIQNSA-N
MW582.35 g/mol
LogP8.73
Rot. Bonds

About 5,10,15,20-tetrakis(trifluoromethyl)-21,22-dihydroporphyrin

5,10,15,20-tetrakis(trifluoromethyl)-21,22-dihydroporphyrin (PubChem CID 10099782) has the molecular formula C24H10F12N4 and a molecular weight of 582.35 g/mol. Its IUPAC name is 5,10,15,20-tetrakis(trifluoromethyl)-21,22-dihydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetrakis(trifluoromethyl)-21,22-dihydroporphyrin
PubChem CID10099782
Molecular FormulaC24H10F12N4
Molecular Weight582.35 g/mol
Exact Mass582.07
IUPAC Name5,10,15,20-tetrakis(trifluoromethyl)-21,22-dihydroporphyrin
SMILESFC(F)(F)c1c2nc(c(C(F)(F)F)c3ccc([nH]3)c(C(F)(F)F)c3ccc([nH]3)c(C(F)(F)F)c3nc1C=C3)C=C2
InChIInChI=1S/C24H10F12N4/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/h1-8,37-38H/b17-9+,17-11+,18-10+,18-12+,19-13+,19-15+,20-14+,20-16+
InChIKeyVIUYILPFSAJCRY-OTHQCIQNSA-N
XLogP8.73
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.35
LogP ≤ 58.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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
10,20-diphenyl-5,15-bis(trifluoromethyl)-21,22-dihydroporphyrin
CID 10723040
platinum;5,10,15,20-tetrakis(1,1,2,2,3,3,3-heptafluoropropyl)-21,22-dihydroporphyrin
CID 161320346
10,20-diphenyl-15-(trifluoromethyl)-21,22-dihydroporphyrin
CID 11497978
5,15-bis(1,1,2,2,3,3,3-heptafluoropropyl)-10,20-bis(2,3,4,5,6-pentafluorophenyl)-21,22-dihydroporphyrin
CID 15282346
methyl 4-[15-(4-iodophenyl)-10,20-bis(trifluoromethyl)-21,23-dihydroporphyrin-5-yl]benzoate
CID 135427018
zinc 5,10,15,20-tetrakis(trifluoromethyl)porphyrin-22,24-diide
CID 15907480
diethyl 10,15-bis(trifluoromethyl)-22,24-dihydroporphyrin-2,3-dicarboxylate
CID 11850721
5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin;hydrochloride
CID 172772956
2,7,12-tris(2,3,4,5,6-pentafluorophenyl)-16,17,18-triazatetracyclo[11.2.1.13,6.18,11]octadeca-1(16),2,4,6,8,10,12,14-octaene
CID 102382676
iron(2+);5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin;dichloride
CID 175795325
cobalt(2+);5,10,15,20-tetrakis(4-fluorophenyl)-21,23-dihydroporphyrin
CID 175701182

Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetrakis(trifluoromethyl)-21,22-dihydroporphyrin?
The IUPAC name of 5,10,15,20-tetrakis(trifluoromethyl)-21,22-dihydroporphyrin (CID 10099782) is 5,10,15,20-tetrakis(trifluoromethyl)-21,22-dihydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetrakis(trifluoromethyl)-21,22-dihydroporphyrin?
The canonical SMILES for 5,10,15,20-tetrakis(trifluoromethyl)-21,22-dihydroporphyrin is FC(F)(F)c1c2nc(c(C(F)(F)F)c3ccc([nH]3)c(C(F)(F)F)c3ccc([nH]3)c(C(F)(F)F)c3nc1C=C3)C=C2.
What is the InChIKey of 5,10,15,20-tetrakis(trifluoromethyl)-21,22-dihydroporphyrin?
The InChIKey is VIUYILPFSAJCRY-OTHQCIQNSA-N. The full InChI is InChI=1S/C24H10F12N4/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/h1-8,37-38H/b17-9+,17-11+,18-10+,18-12+,19-13+,19-15+,20-14+,20-16+.
What are the key properties of 5,10,15,20-tetrakis(trifluoromethyl)-21,22-dihydroporphyrin?
5,10,15,20-tetrakis(trifluoromethyl)-21,22-dihydroporphyrin has a molecular weight of 582.35 g/mol, XLogP of 8.73, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetrakis(trifluoromethyl)-21,22-dihydroporphyrin is sourced from PubChem (CID 10099782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).