2,3,5,7-tetrakis(2-fluorophenyl)porphyrin

C44H24F4N4 — CID 67905133

IUPAC2,3,5,7-tetrakis(2-fluorophenyl)porphyrin
SMILESFc1ccccc1C1=C/C2=C/C3=N/C(=C\C4=N/C(=C\C5=N/C(=C(/c6ccccc6F)C1=N2)C(c1ccccc1F)=C5c1ccccc1F)C=C4)C=C3
InChIInChI=1S/C44H24F4N4/c45-35-13-5-1-9-30(35)34-23-29-22-27-18-17-25(49-27)21-26-19-20-28(50-26)24-39-40(31-10-2-6-14-36(31)46)41(32-11-3-7-15-37(32)47)44(52-39)42(43(34)51-29)33-12-4-8-16-38(33)48/h1-24H/b25-21-,26-21-,27-22-,28-24-,29-22-,39-24-,43-42-,44-42-
InChIKeyTZCXHYWJWXTVLO-TZMYDMJGSA-N
MW684.70 g/mol
LogP10.24
Rot. Bonds4

About 2,3,5,7-tetrakis(2-fluorophenyl)porphyrin

2,3,5,7-tetrakis(2-fluorophenyl)porphyrin (PubChem CID 67905133) has the molecular formula C44H24F4N4 and a molecular weight of 684.70 g/mol. Its IUPAC name is 2,3,5,7-tetrakis(2-fluorophenyl)porphyrin.

Molecular Properties

Compound Name2,3,5,7-tetrakis(2-fluorophenyl)porphyrin
PubChem CID67905133
Molecular FormulaC44H24F4N4
Molecular Weight684.70 g/mol
Exact Mass684.19
IUPAC Name2,3,5,7-tetrakis(2-fluorophenyl)porphyrin
SMILESFc1ccccc1C1=C/C2=C/C3=N/C(=C\C4=N/C(=C\C5=N/C(=C(/c6ccccc6F)C1=N2)C(c1ccccc1F)=C5c1ccccc1F)C=C4)C=C3
InChIInChI=1S/C44H24F4N4/c45-35-13-5-1-9-30(35)34-23-29-22-27-18-17-25(49-27)21-26-19-20-28(50-26)24-39-40(31-10-2-6-14-36(31)46)41(32-11-3-7-15-37(32)47)44(52-39)42(43(34)51-29)33-12-4-8-16-38(33)48/h1-24H/b25-21-,26-21-,27-22-,28-24-,29-22-,39-24-,43-42-,44-42-
InChIKeyTZCXHYWJWXTVLO-TZMYDMJGSA-N
XLogP10.24
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.70
LogP ≤ 510.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,7-tetrakis(2-fluorophenyl)porphyrin?
The IUPAC name of 2,3,5,7-tetrakis(2-fluorophenyl)porphyrin (CID 67905133) is 2,3,5,7-tetrakis(2-fluorophenyl)porphyrin.
What is the SMILES notation for 2,3,5,7-tetrakis(2-fluorophenyl)porphyrin?
The canonical SMILES for 2,3,5,7-tetrakis(2-fluorophenyl)porphyrin is Fc1ccccc1C1=C/C2=C/C3=N/C(=C\C4=N/C(=C\C5=N/C(=C(/c6ccccc6F)C1=N2)C(c1ccccc1F)=C5c1ccccc1F)C=C4)C=C3.
What is the InChIKey of 2,3,5,7-tetrakis(2-fluorophenyl)porphyrin?
The InChIKey is TZCXHYWJWXTVLO-TZMYDMJGSA-N. The full InChI is InChI=1S/C44H24F4N4/c45-35-13-5-1-9-30(35)34-23-29-22-27-18-17-25(49-27)21-26-19-20-28(50-26)24-39-40(31-10-2-6-14-36(31)46)41(32-11-3-7-15-37(32)47)44(52-39)42(43(34)51-29)33-12-4-8-16-38(33)48/h1-24H/b25-21-,26-21-,27-22-,28-24-,29-22-,39-24-,43-42-,44-42-.
What are the key properties of 2,3,5,7-tetrakis(2-fluorophenyl)porphyrin?
2,3,5,7-tetrakis(2-fluorophenyl)porphyrin has a molecular weight of 684.70 g/mol, XLogP of 10.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,7-tetrakis(2-fluorophenyl)porphyrin is sourced from PubChem (CID 67905133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).