2-(4-fluorophenyl)porphyrin

C26H15FN4 — CID 174406586

IUPAC2-(4-fluorophenyl)porphyrin
SMILESFc1ccc(C2=CC3=N/C2=C\C2=N/C(=C\C4=N/C(=C\C5=N/C(=C\3)C=C5)C=C4)C=C2)cc1
InChIInChI=1S/C26H15FN4/c27-17-3-1-16(2-4-17)25-14-24-13-22-8-7-20(29-22)11-18-5-6-19(28-18)12-21-9-10-23(30-21)15-26(25)31-24/h1-15H/b18-11-,19-12-,20-11-,21-12-,22-13-,23-15-,24-13-,26-15-
InChIKeyHSGXRZCOPIDXBP-OUPGCEIHSA-N
MW402.43 g/mol
LogP5.25
Rot. Bonds1

About 2-(4-fluorophenyl)porphyrin

2-(4-fluorophenyl)porphyrin (PubChem CID 174406586) has the molecular formula C26H15FN4 and a molecular weight of 402.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)porphyrin.

Molecular Properties

Compound Name2-(4-fluorophenyl)porphyrin
PubChem CID174406586
Molecular FormulaC26H15FN4
Molecular Weight402.43 g/mol
Exact Mass402.13
IUPAC Name2-(4-fluorophenyl)porphyrin
SMILESFc1ccc(C2=CC3=N/C2=C\C2=N/C(=C\C4=N/C(=C\C5=N/C(=C\3)C=C5)C=C4)C=C2)cc1
InChIInChI=1S/C26H15FN4/c27-17-3-1-16(2-4-17)25-14-24-13-22-8-7-20(29-22)11-18-5-6-19(28-18)12-21-9-10-23(30-21)15-26(25)31-24/h1-15H/b18-11-,19-12-,20-11-,21-12-,22-13-,23-15-,24-13-,26-15-
InChIKeyHSGXRZCOPIDXBP-OUPGCEIHSA-N
XLogP5.25
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.43
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)porphyrin?
The IUPAC name of 2-(4-fluorophenyl)porphyrin (CID 174406586) is 2-(4-fluorophenyl)porphyrin.
What is the SMILES notation for 2-(4-fluorophenyl)porphyrin?
The canonical SMILES for 2-(4-fluorophenyl)porphyrin is Fc1ccc(C2=CC3=N/C2=C\C2=N/C(=C\C4=N/C(=C\C5=N/C(=C\3)C=C5)C=C4)C=C2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)porphyrin?
The InChIKey is HSGXRZCOPIDXBP-OUPGCEIHSA-N. The full InChI is InChI=1S/C26H15FN4/c27-17-3-1-16(2-4-17)25-14-24-13-22-8-7-20(29-22)11-18-5-6-19(28-18)12-21-9-10-23(30-21)15-26(25)31-24/h1-15H/b18-11-,19-12-,20-11-,21-12-,22-13-,23-15-,24-13-,26-15-.
What are the key properties of 2-(4-fluorophenyl)porphyrin?
2-(4-fluorophenyl)porphyrin has a molecular weight of 402.43 g/mol, XLogP of 5.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)porphyrin is sourced from PubChem (CID 174406586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).