5,10,15,20-tetrakis[4-(trifluoromethyl)phenyl]-2,23-dihydroporphyrin

C48H26F12N4 — CID 136717375

IUPAC5,10,15,20-tetrakis[4-(trifluoromethyl)phenyl]-2,23-dihydroporphyrin
SMILESFC(F)(F)c1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(C(F)(F)F)cc3)=c3/cc/c([nH]3)=C(\c3ccc(C(F)(F)F)cc3)C3=N/C(=C(/c4ccc(C(F)(F)F)cc4)C4=NC2=CC4)C=C3)cc1
InChIInChI=1S/C48H26F12N4/c49-45(50,51)29-9-1-25(2-10-29)41-33-17-19-35(61-33)42(26-3-11-30(12-4-26)46(52,53)54)37-21-23-39(63-37)44(28-7-15-32(16-8-28)48(58,59)60)40-24-22-38(64-40)43(36-20-18-34(41)62-36)27-5-13-31(14-6-27)47(55,56)57/h1-23,61H,24H2/b41-33-,42-35-,43-36-,44-39-
InChIKeyPMOLNMVJZJXJAJ-DLJQTLRXSA-N
MW886.74 g/mol
LogP12.07
Rot. Bonds4

About 5,10,15,20-tetrakis[4-(trifluoromethyl)phenyl]-2,23-dihydroporphyrin

5,10,15,20-tetrakis[4-(trifluoromethyl)phenyl]-2,23-dihydroporphyrin (PubChem CID 136717375) has the molecular formula C48H26F12N4 and a molecular weight of 886.74 g/mol. Its IUPAC name is 5,10,15,20-tetrakis[4-(trifluoromethyl)phenyl]-2,23-dihydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetrakis[4-(trifluoromethyl)phenyl]-2,23-dihydroporphyrin
PubChem CID136717375
Molecular FormulaC48H26F12N4
Molecular Weight886.74 g/mol
Exact Mass886.20
IUPAC Name5,10,15,20-tetrakis[4-(trifluoromethyl)phenyl]-2,23-dihydroporphyrin
SMILESFC(F)(F)c1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(C(F)(F)F)cc3)=c3/cc/c([nH]3)=C(\c3ccc(C(F)(F)F)cc3)C3=N/C(=C(/c4ccc(C(F)(F)F)cc4)C4=NC2=CC4)C=C3)cc1
InChIInChI=1S/C48H26F12N4/c49-45(50,51)29-9-1-25(2-10-29)41-33-17-19-35(61-33)42(26-3-11-30(12-4-26)46(52,53)54)37-21-23-39(63-37)44(28-7-15-32(16-8-28)48(58,59)60)40-24-22-38(64-40)43(36-20-18-34(41)62-36)27-5-13-31(14-6-27)47(55,56)57/h1-23,61H,24H2/b41-33-,42-35-,43-36-,44-39-
InChIKeyPMOLNMVJZJXJAJ-DLJQTLRXSA-N
XLogP12.07
TPSA52.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500886.74
LogP ≤ 512.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4Z,10Z,15Z,19Z)-5,10,15,20-tetrakis(4-fluorophenyl)-1,9,21,24-tetrahydroporphyrin
CID 118729009
(5Z,9Z,14Z,19Z)-5,10,15,20-tetraphenyl-1,4,21,22-tetrahydroporphyrin
CID 136135835
6,11,16,25,30,35-Hexakis(2,3,4,5,6-pentafluorophenyl)-4,18,23,37,40,41,44,45-octazaundecacyclo[34.2.1.12,5.17,10.112,15.117,20.121,24.126,29.131,34.03,19.022,38]hexatetraconta-1,3(19),5(46),6,8,10(45),11,13,15,17(43),20,22(38),24(42),25,27,29,31(40),32,34,36(39)-icosaene
CID 101413763
2,7-Bis(2,3,4,5,6-pentafluorophenyl)-12,13-diphenyl-17,18,19-triazatetracyclo[12.2.1.13,6.18,11]nonadeca-1(17),2,4,6(19),7,9,11,13,15-nonaene
CID 101793843
6,11,16,25,30,35-Hexakis(2,3,4,5,6-pentafluorophenyl)-4,18,23,37,40,41,44,45-octazaundecacyclo[34.2.1.12,5.17,10.112,15.117,20.121,24.126,29.131,34.03,19.022,38]hexatetraconta-1(39),2(46),3(19),4,6,8,10(45),11,13,15,17(43),20,22(38),24(42),25,27,29,31(40),32,34,36-henicosaene
CID 134939710
9,18,27-Tris(pentafluorophenyl)trisnaphtho[cde,lmn,uvw]-29H,31H,33H-hexaphyrin(1.0.1.0.1.0)
CID 136266119
25-Methyl-2,13,24-tris(2,3,4,5,6-pentafluorophenyl)-7,8,18,19,28,29-hexakis-phenyl-26,33,34,35,36,37-hexazahexacyclo[28.2.1.13,6.19,12.114,17.120,23]heptatriaconta-1,3(37),4,6,8,10,12(36),13,15,17,19,21,23,25,27,29,31-heptadecaene
CID 162415867
2,13,24,35-Tetrakis(2,3,4,5,6-pentafluorophenyl)-7,8,18,19,29,30,40,41-octakis-phenyl-45,46,47,48,49,50,51,52-octazanonacyclo[40.2.1.13,6.19,12.114,17.120,23.125,28.131,34.136,39]dopentaconta-1(45),2,4,6,8,10,12(51),13,15,17,19,21,23(49),24,26,28,30,32,34(47),35,37,39,41,43-tetracosaene
CID 162415868
(4Z,10Z,15Z,19Z)-5,10,15,20-tetraphenyl-1,9,21,24-tetrahydroporphyrin
CID 118729008
(5Z,10Z,14Z,19Z)-5,10,15,20-tetraphenyl-1,2,21,23-tetrahydroporphyrin
CID 59167867
8,10,12,13,15-Pentafluoro-2,3,5,7-tetraphenylporphyrin
CID 66696861
2,3,5,7-Tetrakis(2-fluorophenyl)porphyrin
CID 67905133

Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetrakis[4-(trifluoromethyl)phenyl]-2,23-dihydroporphyrin?
The IUPAC name of 5,10,15,20-tetrakis[4-(trifluoromethyl)phenyl]-2,23-dihydroporphyrin (CID 136717375) is 5,10,15,20-tetrakis[4-(trifluoromethyl)phenyl]-2,23-dihydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetrakis[4-(trifluoromethyl)phenyl]-2,23-dihydroporphyrin?
The canonical SMILES for 5,10,15,20-tetrakis[4-(trifluoromethyl)phenyl]-2,23-dihydroporphyrin is FC(F)(F)c1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(C(F)(F)F)cc3)=c3/cc/c([nH]3)=C(\c3ccc(C(F)(F)F)cc3)C3=N/C(=C(/c4ccc(C(F)(F)F)cc4)C4=NC2=CC4)C=C3)cc1.
What is the InChIKey of 5,10,15,20-tetrakis[4-(trifluoromethyl)phenyl]-2,23-dihydroporphyrin?
The InChIKey is PMOLNMVJZJXJAJ-DLJQTLRXSA-N. The full InChI is InChI=1S/C48H26F12N4/c49-45(50,51)29-9-1-25(2-10-29)41-33-17-19-35(61-33)42(26-3-11-30(12-4-26)46(52,53)54)37-21-23-39(63-37)44(28-7-15-32(16-8-28)48(58,59)60)40-24-22-38(64-40)43(36-20-18-34(41)62-36)27-5-13-31(14-6-27)47(55,56)57/h1-23,61H,24H2/b41-33-,42-35-,43-36-,44-39-.
What are the key properties of 5,10,15,20-tetrakis[4-(trifluoromethyl)phenyl]-2,23-dihydroporphyrin?
5,10,15,20-tetrakis[4-(trifluoromethyl)phenyl]-2,23-dihydroporphyrin has a molecular weight of 886.74 g/mol, XLogP of 12.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetrakis[4-(trifluoromethyl)phenyl]-2,23-dihydroporphyrin is sourced from PubChem (CID 136717375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).