5,10,15,20-tetrakis(2-fluorophenyl)-21,22,23,24-tetrahydroporphyrin

C44H28F4N4 — CID 54211150

IUPAC5,10,15,20-tetrakis(2-fluorophenyl)-21,22,23,24-tetrahydroporphyrin
SMILESFc1ccccc1C1=c2ccc([nH]2)=C(c2ccccc2F)c2ccc([nH]2)C(c2ccccc2F)=c2ccc([nH]2)=C(c2ccccc2F)c2ccc1[nH]2
InChIInChI=1S/C44H28F4N4/c45-29-13-5-1-9-25(29)41-33-17-19-35(49-33)42(26-10-2-6-14-30(26)46)37-21-23-39(51-37)44(28-12-4-8-16-32(28)48)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-11-3-7-15-31(27)47/h1-24,49-52H
InChIKeyBLURSJOGFSZSEJ-UHFFFAOYSA-N
MW688.73 g/mol
LogP6.86
Rot. Bonds4

About 5,10,15,20-tetrakis(2-fluorophenyl)-21,22,23,24-tetrahydroporphyrin

5,10,15,20-tetrakis(2-fluorophenyl)-21,22,23,24-tetrahydroporphyrin (PubChem CID 54211150) has the molecular formula C44H28F4N4 and a molecular weight of 688.73 g/mol. Its IUPAC name is 5,10,15,20-tetrakis(2-fluorophenyl)-21,22,23,24-tetrahydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetrakis(2-fluorophenyl)-21,22,23,24-tetrahydroporphyrin
PubChem CID54211150
Molecular FormulaC44H28F4N4
Molecular Weight688.73 g/mol
Exact Mass688.23
IUPAC Name5,10,15,20-tetrakis(2-fluorophenyl)-21,22,23,24-tetrahydroporphyrin
SMILESFc1ccccc1C1=c2ccc([nH]2)=C(c2ccccc2F)c2ccc([nH]2)C(c2ccccc2F)=c2ccc([nH]2)=C(c2ccccc2F)c2ccc1[nH]2
InChIInChI=1S/C44H28F4N4/c45-29-13-5-1-9-25(29)41-33-17-19-35(49-33)42(26-10-2-6-14-30(26)46)37-21-23-39(51-37)44(28-12-4-8-16-32(28)48)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-11-3-7-15-31(27)47/h1-24,49-52H
InChIKeyBLURSJOGFSZSEJ-UHFFFAOYSA-N
XLogP6.86
TPSA63.16 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.73
LogP ≤ 56.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

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Related Compounds

2-(2-fluorophenyl)-N-methyl-5-[10,15,20-tris[4-(2-fluorophenyl)-3-(methylsulfamoyl)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]benzenesulfonamide
CID 91278123
iron(3+);5,10,15,20-tetraphenyl-21,22,23,24-tetrahydroporphyrin;trichloride
CID 159454747
5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-20-pyren-1-yl-21,22,23,24-tetrahydroporphyrin
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9,10-bis(2-fluorophenyl)anthracene
CID 101446406
5,10,15,20-tetrakis(1-benzothiophen-2-yl)-21,22,23,24-tetrahydroporphyrin
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1,4-bis(2-fluorophenyl)benzene
CID 58121760
2-fluoro-1-(2-fluorophenyl)-4-methylbenzene
CID 46313956
7-fluoro-2-(2-fluorophenyl)-1H-quinolin-4-one
CID 123702147
5-(4-ethynylphenyl)-10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin
CID 123167588
4-(2-fluorophenyl)-3H-1,3-oxazole-2-thione
CID 106798985
1,3-bis(2-fluorophenyl)-5-(3-methylphenyl)benzene
CID 134391839
4-amino-6-(2-fluorophenyl)-1H-pyrimidin-2-one
CID 82077032

Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetrakis(2-fluorophenyl)-21,22,23,24-tetrahydroporphyrin?
The IUPAC name of 5,10,15,20-tetrakis(2-fluorophenyl)-21,22,23,24-tetrahydroporphyrin (CID 54211150) is 5,10,15,20-tetrakis(2-fluorophenyl)-21,22,23,24-tetrahydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetrakis(2-fluorophenyl)-21,22,23,24-tetrahydroporphyrin?
The canonical SMILES for 5,10,15,20-tetrakis(2-fluorophenyl)-21,22,23,24-tetrahydroporphyrin is Fc1ccccc1C1=c2ccc([nH]2)=C(c2ccccc2F)c2ccc([nH]2)C(c2ccccc2F)=c2ccc([nH]2)=C(c2ccccc2F)c2ccc1[nH]2.
What is the InChIKey of 5,10,15,20-tetrakis(2-fluorophenyl)-21,22,23,24-tetrahydroporphyrin?
The InChIKey is BLURSJOGFSZSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28F4N4/c45-29-13-5-1-9-25(29)41-33-17-19-35(49-33)42(26-10-2-6-14-30(26)46)37-21-23-39(51-37)44(28-12-4-8-16-32(28)48)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-11-3-7-15-31(27)47/h1-24,49-52H.
What are the key properties of 5,10,15,20-tetrakis(2-fluorophenyl)-21,22,23,24-tetrahydroporphyrin?
5,10,15,20-tetrakis(2-fluorophenyl)-21,22,23,24-tetrahydroporphyrin has a molecular weight of 688.73 g/mol, XLogP of 6.86, 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(2-fluorophenyl)-21,22,23,24-tetrahydroporphyrin is sourced from PubChem (CID 54211150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).