5,10,15,20-tetrakis[3,5-bis(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin

C52H24F24N4 — CID 91203819

IUPAC5,10,15,20-tetrakis[3,5-bis(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin
SMILESFC(F)(F)c1cc(C2=c3ccc([nH]3)=C(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccc([nH]3)C(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)=c3ccc([nH]3)=C(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccc2[nH]3)cc(C(F)(F)F)c1
InChIInChI=1S/C52H24F24N4/c53-45(54,55)25-9-21(10-26(17-25)46(56,57)58)41-33-1-2-34(77-33)42(22-11-27(47(59,60)61)18-28(12-22)48(62,63)64)36-5-6-38(79-36)44(24-15-31(51(71,72)73)20-32(16-24)52(74,75)76)40-8-7-39(80-40)43(37-4-3-35(41)78-37)23-13-29(49(65,66)67)19-30(14-23)50(68,69)70/h1-20,77-80H
InChIKeyDDWQLZMZISJPDE-UHFFFAOYSA-N
MW1160.74 g/mol
LogP14.45
Rot. Bonds4

About 5,10,15,20-tetrakis[3,5-bis(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin

5,10,15,20-tetrakis[3,5-bis(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin (PubChem CID 91203819) has the molecular formula C52H24F24N4 and a molecular weight of 1160.74 g/mol. Its IUPAC name is 5,10,15,20-tetrakis[3,5-bis(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetrakis[3,5-bis(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin
PubChem CID91203819
Molecular FormulaC52H24F24N4
Molecular Weight1160.74 g/mol
Exact Mass1160.16
IUPAC Name5,10,15,20-tetrakis[3,5-bis(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin
SMILESFC(F)(F)c1cc(C2=c3ccc([nH]3)=C(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccc([nH]3)C(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)=c3ccc([nH]3)=C(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccc2[nH]3)cc(C(F)(F)F)c1
InChIInChI=1S/C52H24F24N4/c53-45(54,55)25-9-21(10-26(17-25)46(56,57)58)41-33-1-2-34(77-33)42(22-11-27(47(59,60)61)18-28(12-22)48(62,63)64)36-5-6-38(79-36)44(24-15-31(51(71,72)73)20-32(16-24)52(74,75)76)40-8-7-39(80-40)43(37-4-3-35(41)78-37)23-13-29(49(65,66)67)19-30(14-23)50(68,69)70/h1-20,77-80H
InChIKeyDDWQLZMZISJPDE-UHFFFAOYSA-N
XLogP14.45
TPSA63.16 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001160.74
LogP ≤ 514.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

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Related Compounds

5,10,15,20-Tetrakis(pentafluorophenyl)porphyrin
CID 135401562
Platinum tetrakis(pentafluorophenyl)porphyrin
CID 5190808
5,10,15,20-Tetraphenyl-21,22-dihydroporphyrin
CID 70186
Tetraphenylporphyrin
CID 86280046
N,N'-(1h-Pyrrole-2,5-Diyldi-4,1-Phenylene)dibenzenecarboximidamide
CID 16122562
(1Z,4Z,9Z,15Z)-5,10,15,20-Tetrakis-(2,6-difluoro-phenyl)-porphyrin
CID 5250181
(1Z,4Z,9Z,15Z)-5,10,15,20-Tetrakis-(2,4-difluoro-phenyl)-porphyrin
CID 10327777
Zinc, [5,10,15,20-tetraphenyl-21H,23H-porphinato(2-)-kappaN21,kappaN22,kappaN23,kappaN24]-, (SP-4-1)-
CID 6515536
5,10,15,20-Tetrakis(2,4,6-trimethylphenyl)porphyrin
CID 135404289
5,10,15,20-Tetrakis(3,5-bis(tert-butyl)phenyl)porphyrin
CID 135451950
2,3,5-Triphenyl-1H-pyrrole
CID 247126
Bis(2-phenylindol-3-yl)methane
CID 11003858

Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetrakis[3,5-bis(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin?
The IUPAC name of 5,10,15,20-tetrakis[3,5-bis(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin (CID 91203819) is 5,10,15,20-tetrakis[3,5-bis(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetrakis[3,5-bis(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin?
The canonical SMILES for 5,10,15,20-tetrakis[3,5-bis(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin is FC(F)(F)c1cc(C2=c3ccc([nH]3)=C(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccc([nH]3)C(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)=c3ccc([nH]3)=C(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccc2[nH]3)cc(C(F)(F)F)c1.
What is the InChIKey of 5,10,15,20-tetrakis[3,5-bis(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin?
The InChIKey is DDWQLZMZISJPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H24F24N4/c53-45(54,55)25-9-21(10-26(17-25)46(56,57)58)41-33-1-2-34(77-33)42(22-11-27(47(59,60)61)18-28(12-22)48(62,63)64)36-5-6-38(79-36)44(24-15-31(51(71,72)73)20-32(16-24)52(74,75)76)40-8-7-39(80-40)43(37-4-3-35(41)78-37)23-13-29(49(65,66)67)19-30(14-23)50(68,69)70/h1-20,77-80H.
What are the key properties of 5,10,15,20-tetrakis[3,5-bis(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin?
5,10,15,20-tetrakis[3,5-bis(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin has a molecular weight of 1160.74 g/mol, XLogP of 14.45, 4 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetrakis[3,5-bis(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin is sourced from PubChem (CID 91203819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).