2-(2,3,4,5,6-pentafluorophenyl)porphyrin

C26H11F5N4 — CID 87223589

IUPAC2-(2,3,4,5,6-pentafluorophenyl)porphyrin
SMILESFc1c(F)c(F)c(C2=CC3=N/C2=C\C2=N/C(=C\C4=N/C(=C\C5=N/C(=C\3)C=C5)C=C4)C=C2)c(F)c1F
InChIInChI=1S/C26H11F5N4/c27-22-21(23(28)25(30)26(31)24(22)29)19-10-18-9-16-4-3-14(33-16)7-12-1-2-13(32-12)8-15-5-6-17(34-15)11-20(19)35-18/h1-11H/b12-7-,13-8-,14-7-,15-8-,16-9-,17-11-,18-9-,20-11-
InChIKeyQIUFSLBRAHNFOA-ZFGIDIDVSA-N
MW474.39 g/mol
LogP5.80
Rot. Bonds1

About 2-(2,3,4,5,6-pentafluorophenyl)porphyrin

2-(2,3,4,5,6-pentafluorophenyl)porphyrin (PubChem CID 87223589) has the molecular formula C26H11F5N4 and a molecular weight of 474.39 g/mol. Its IUPAC name is 2-(2,3,4,5,6-pentafluorophenyl)porphyrin.

Molecular Properties

Compound Name2-(2,3,4,5,6-pentafluorophenyl)porphyrin
PubChem CID87223589
Molecular FormulaC26H11F5N4
Molecular Weight474.39 g/mol
Exact Mass474.09
IUPAC Name2-(2,3,4,5,6-pentafluorophenyl)porphyrin
SMILESFc1c(F)c(F)c(C2=CC3=N/C2=C\C2=N/C(=C\C4=N/C(=C\C5=N/C(=C\3)C=C5)C=C4)C=C2)c(F)c1F
InChIInChI=1S/C26H11F5N4/c27-22-21(23(28)25(30)26(31)24(22)29)19-10-18-9-16-4-3-14(33-16)7-12-1-2-13(32-12)8-15-5-6-17(34-15)11-20(19)35-18/h1-11H/b12-7-,13-8-,14-7-,15-8-,16-9-,17-11-,18-9-,20-11-
InChIKeyQIUFSLBRAHNFOA-ZFGIDIDVSA-N
XLogP5.80
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.39
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5,6-pentafluorophenyl)porphyrin?
The IUPAC name of 2-(2,3,4,5,6-pentafluorophenyl)porphyrin (CID 87223589) is 2-(2,3,4,5,6-pentafluorophenyl)porphyrin.
What is the SMILES notation for 2-(2,3,4,5,6-pentafluorophenyl)porphyrin?
The canonical SMILES for 2-(2,3,4,5,6-pentafluorophenyl)porphyrin is Fc1c(F)c(F)c(C2=CC3=N/C2=C\C2=N/C(=C\C4=N/C(=C\C5=N/C(=C\3)C=C5)C=C4)C=C2)c(F)c1F.
What is the InChIKey of 2-(2,3,4,5,6-pentafluorophenyl)porphyrin?
The InChIKey is QIUFSLBRAHNFOA-ZFGIDIDVSA-N. The full InChI is InChI=1S/C26H11F5N4/c27-22-21(23(28)25(30)26(31)24(22)29)19-10-18-9-16-4-3-14(33-16)7-12-1-2-13(32-12)8-15-5-6-17(34-15)11-20(19)35-18/h1-11H/b12-7-,13-8-,14-7-,15-8-,16-9-,17-11-,18-9-,20-11-.
What are the key properties of 2-(2,3,4,5,6-pentafluorophenyl)porphyrin?
2-(2,3,4,5,6-pentafluorophenyl)porphyrin has a molecular weight of 474.39 g/mol, XLogP of 5.80, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5,6-pentafluorophenyl)porphyrin is sourced from PubChem (CID 87223589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).