5,10,15,20-tetrakis(3,5-difluorophenyl)-21,22,23,24-tetrahydroporphyrin

C44H24F8N4 — CID 90781202

IUPAC5,10,15,20-tetrakis(3,5-difluorophenyl)-21,22,23,24-tetrahydroporphyrin
SMILESFc1cc(F)cc(C2=c3ccc([nH]3)=C(c3cc(F)cc(F)c3)c3ccc([nH]3)C(c3cc(F)cc(F)c3)=c3ccc([nH]3)=C(c3cc(F)cc(F)c3)c3ccc2[nH]3)c1
InChIInChI=1S/C44H24F8N4/c45-25-9-21(10-26(46)17-25)41-33-1-2-34(53-33)42(22-11-27(47)18-28(48)12-22)36-5-6-38(55-36)44(24-15-31(51)20-32(52)16-24)40-8-7-39(56-40)43(37-4-3-35(41)54-37)23-13-29(49)19-30(50)14-23/h1-20,53-56H
InChIKeyASLOZPXNXOBITE-UHFFFAOYSA-N
MW760.69 g/mol
LogP7.41
Rot. Bonds4

About 5,10,15,20-tetrakis(3,5-difluorophenyl)-21,22,23,24-tetrahydroporphyrin

5,10,15,20-tetrakis(3,5-difluorophenyl)-21,22,23,24-tetrahydroporphyrin (PubChem CID 90781202) has the molecular formula C44H24F8N4 and a molecular weight of 760.69 g/mol. Its IUPAC name is 5,10,15,20-tetrakis(3,5-difluorophenyl)-21,22,23,24-tetrahydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetrakis(3,5-difluorophenyl)-21,22,23,24-tetrahydroporphyrin
PubChem CID90781202
Molecular FormulaC44H24F8N4
Molecular Weight760.69 g/mol
Exact Mass760.19
IUPAC Name5,10,15,20-tetrakis(3,5-difluorophenyl)-21,22,23,24-tetrahydroporphyrin
SMILESFc1cc(F)cc(C2=c3ccc([nH]3)=C(c3cc(F)cc(F)c3)c3ccc([nH]3)C(c3cc(F)cc(F)c3)=c3ccc([nH]3)=C(c3cc(F)cc(F)c3)c3ccc2[nH]3)c1
InChIInChI=1S/C44H24F8N4/c45-25-9-21(10-26(46)17-25)41-33-1-2-34(53-33)42(22-11-27(47)18-28(48)12-22)36-5-6-38(55-36)44(24-15-31(51)20-32(52)16-24)40-8-7-39(56-40)43(37-4-3-35(41)54-37)23-13-29(49)19-30(50)14-23/h1-20,53-56H
InChIKeyASLOZPXNXOBITE-UHFFFAOYSA-N
XLogP7.41
TPSA63.16 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.69
LogP ≤ 57.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

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Related Compounds

2,5-Diphenyl-1H-pyrrole
CID 244877
5,10,15,20-Tetrakis(pentafluorophenyl)porphyrin
CID 135401562
1H-Pyrrole, 2,3,4,5-tetraphenyl-
CID 76753
5,15-Diphenyl-21H,23H-porphine
CID 10895852
Platinum tetrakis(pentafluorophenyl)porphyrin
CID 5190808
5,10,15,20-Tetraphenyl-21,22-dihydroporphyrin
CID 70186
(3E)-2-phenyl-3-[(2-phenyl-1H-indol-3-yl)methylidene]indole
CID 5762378
5,15-Diphenyl-2,3,22,24-tetrahydroporphyrin
CID 11719635
5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-22,23-dihydro-21H-corrin
CID 135405350
5,10,15,20-Tetrakis(4-aminophenyl)-21H,23H-porphine
CID 135411734
Tetraphenylporphyrin
CID 86280046
5,10,15,20-Tetrakis(p-tolyl)porphyrin
CID 135401992

Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetrakis(3,5-difluorophenyl)-21,22,23,24-tetrahydroporphyrin?
The IUPAC name of 5,10,15,20-tetrakis(3,5-difluorophenyl)-21,22,23,24-tetrahydroporphyrin (CID 90781202) is 5,10,15,20-tetrakis(3,5-difluorophenyl)-21,22,23,24-tetrahydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetrakis(3,5-difluorophenyl)-21,22,23,24-tetrahydroporphyrin?
The canonical SMILES for 5,10,15,20-tetrakis(3,5-difluorophenyl)-21,22,23,24-tetrahydroporphyrin is Fc1cc(F)cc(C2=c3ccc([nH]3)=C(c3cc(F)cc(F)c3)c3ccc([nH]3)C(c3cc(F)cc(F)c3)=c3ccc([nH]3)=C(c3cc(F)cc(F)c3)c3ccc2[nH]3)c1.
What is the InChIKey of 5,10,15,20-tetrakis(3,5-difluorophenyl)-21,22,23,24-tetrahydroporphyrin?
The InChIKey is ASLOZPXNXOBITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H24F8N4/c45-25-9-21(10-26(46)17-25)41-33-1-2-34(53-33)42(22-11-27(47)18-28(48)12-22)36-5-6-38(55-36)44(24-15-31(51)20-32(52)16-24)40-8-7-39(56-40)43(37-4-3-35(41)54-37)23-13-29(49)19-30(50)14-23/h1-20,53-56H.
What are the key properties of 5,10,15,20-tetrakis(3,5-difluorophenyl)-21,22,23,24-tetrahydroporphyrin?
5,10,15,20-tetrakis(3,5-difluorophenyl)-21,22,23,24-tetrahydroporphyrin has a molecular weight of 760.69 g/mol, XLogP of 7.41, 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-difluorophenyl)-21,22,23,24-tetrahydroporphyrin is sourced from PubChem (CID 90781202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).