2-(2,3,5,6-tetrafluorophenyl)porphyrin

C26H12F4N4 — CID 130297801

IUPAC2-(2,3,5,6-tetrafluorophenyl)porphyrin
SMILESFc1cc(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)c1F
InChIInChI=1S/C26H12F4N4/c27-21-12-22(28)26(30)24(25(21)29)20-10-19-9-17-4-3-15(32-17)7-13-1-2-14(31-13)8-16-5-6-18(33-16)11-23(20)34-19/h1-12H/b13-7-,14-8-,15-7-,16-8-,17-9-,18-11-,19-9-,23-11-
InChIKeyDMVLKIAWBAFOBZ-ZMJIFRRQSA-N
MW456.40 g/mol
LogP5.66
Rot. Bonds1

About 2-(2,3,5,6-tetrafluorophenyl)porphyrin

2-(2,3,5,6-tetrafluorophenyl)porphyrin (PubChem CID 130297801) has the molecular formula C26H12F4N4 and a molecular weight of 456.40 g/mol. Its IUPAC name is 2-(2,3,5,6-tetrafluorophenyl)porphyrin.

Molecular Properties

Compound Name2-(2,3,5,6-tetrafluorophenyl)porphyrin
PubChem CID130297801
Molecular FormulaC26H12F4N4
Molecular Weight456.40 g/mol
Exact Mass456.10
IUPAC Name2-(2,3,5,6-tetrafluorophenyl)porphyrin
SMILESFc1cc(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)c1F
InChIInChI=1S/C26H12F4N4/c27-21-12-22(28)26(30)24(25(21)29)20-10-19-9-17-4-3-15(32-17)7-13-1-2-14(31-13)8-16-5-6-18(33-16)11-23(20)34-19/h1-12H/b13-7-,14-8-,15-7-,16-8-,17-9-,18-11-,19-9-,23-11-
InChIKeyDMVLKIAWBAFOBZ-ZMJIFRRQSA-N
XLogP5.66
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.40
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,3,5,6-tetrafluorophenyl)porphyrin with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,5,6-tetrafluorophenyl)porphyrin?
The IUPAC name of 2-(2,3,5,6-tetrafluorophenyl)porphyrin (CID 130297801) is 2-(2,3,5,6-tetrafluorophenyl)porphyrin.
What is the SMILES notation for 2-(2,3,5,6-tetrafluorophenyl)porphyrin?
The canonical SMILES for 2-(2,3,5,6-tetrafluorophenyl)porphyrin is Fc1cc(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)c1F.
What is the InChIKey of 2-(2,3,5,6-tetrafluorophenyl)porphyrin?
The InChIKey is DMVLKIAWBAFOBZ-ZMJIFRRQSA-N. The full InChI is InChI=1S/C26H12F4N4/c27-21-12-22(28)26(30)24(25(21)29)20-10-19-9-17-4-3-15(32-17)7-13-1-2-14(31-13)8-16-5-6-18(33-16)11-23(20)34-19/h1-12H/b13-7-,14-8-,15-7-,16-8-,17-9-,18-11-,19-9-,23-11-.
What are the key properties of 2-(2,3,5,6-tetrafluorophenyl)porphyrin?
2-(2,3,5,6-tetrafluorophenyl)porphyrin has a molecular weight of 456.40 g/mol, XLogP of 5.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,5,6-tetrafluorophenyl)porphyrin is sourced from PubChem (CID 130297801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).