2,3,5,7-tetrakis(4-fluorophenyl)porphyrin

C44H24F4N4 — CID 67743327

IUPAC2,3,5,7-tetrakis(4-fluorophenyl)porphyrin
SMILESFc1ccc(C2=C/C3=C/C4=N/C(=C\C5=N/C(=C\C6=N/C(=C(/c7ccc(F)cc7)C2=N3)C(c2ccc(F)cc2)=C6c2ccc(F)cc2)C=C5)C=C4)cc1
InChIInChI=1S/C44H24F4N4/c45-29-9-1-25(2-10-29)38-23-37-22-35-18-17-33(49-35)21-34-19-20-36(50-34)24-39-40(26-3-11-30(46)12-4-26)41(27-5-13-31(47)14-6-27)44(52-39)42(43(38)51-37)28-7-15-32(48)16-8-28/h1-24H/b33-21-,34-21-,35-22-,36-24-,37-22-,39-24-,43-42-,44-42-
InChIKeySNCZLVNTSJOAPI-GFZULURGSA-N
MW684.70 g/mol
LogP10.24
Rot. Bonds4

About 2,3,5,7-tetrakis(4-fluorophenyl)porphyrin

2,3,5,7-tetrakis(4-fluorophenyl)porphyrin (PubChem CID 67743327) has the molecular formula C44H24F4N4 and a molecular weight of 684.70 g/mol. Its IUPAC name is 2,3,5,7-tetrakis(4-fluorophenyl)porphyrin.

Molecular Properties

Compound Name2,3,5,7-tetrakis(4-fluorophenyl)porphyrin
PubChem CID67743327
Molecular FormulaC44H24F4N4
Molecular Weight684.70 g/mol
Exact Mass684.19
IUPAC Name2,3,5,7-tetrakis(4-fluorophenyl)porphyrin
SMILESFc1ccc(C2=C/C3=C/C4=N/C(=C\C5=N/C(=C\C6=N/C(=C(/c7ccc(F)cc7)C2=N3)C(c2ccc(F)cc2)=C6c2ccc(F)cc2)C=C5)C=C4)cc1
InChIInChI=1S/C44H24F4N4/c45-29-9-1-25(2-10-29)38-23-37-22-35-18-17-33(49-35)21-34-19-20-36(50-34)24-39-40(26-3-11-30(46)12-4-26)41(27-5-13-31(47)14-6-27)44(52-39)42(43(38)51-37)28-7-15-32(48)16-8-28/h1-24H/b33-21-,34-21-,35-22-,36-24-,37-22-,39-24-,43-42-,44-42-
InChIKeySNCZLVNTSJOAPI-GFZULURGSA-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(4-fluorophenyl)porphyrin?
The IUPAC name of 2,3,5,7-tetrakis(4-fluorophenyl)porphyrin (CID 67743327) is 2,3,5,7-tetrakis(4-fluorophenyl)porphyrin.
What is the SMILES notation for 2,3,5,7-tetrakis(4-fluorophenyl)porphyrin?
The canonical SMILES for 2,3,5,7-tetrakis(4-fluorophenyl)porphyrin is Fc1ccc(C2=C/C3=C/C4=N/C(=C\C5=N/C(=C\C6=N/C(=C(/c7ccc(F)cc7)C2=N3)C(c2ccc(F)cc2)=C6c2ccc(F)cc2)C=C5)C=C4)cc1.
What is the InChIKey of 2,3,5,7-tetrakis(4-fluorophenyl)porphyrin?
The InChIKey is SNCZLVNTSJOAPI-GFZULURGSA-N. The full InChI is InChI=1S/C44H24F4N4/c45-29-9-1-25(2-10-29)38-23-37-22-35-18-17-33(49-35)21-34-19-20-36(50-34)24-39-40(26-3-11-30(46)12-4-26)41(27-5-13-31(47)14-6-27)44(52-39)42(43(38)51-37)28-7-15-32(48)16-8-28/h1-24H/b33-21-,34-21-,35-22-,36-24-,37-22-,39-24-,43-42-,44-42-.
What are the key properties of 2,3,5,7-tetrakis(4-fluorophenyl)porphyrin?
2,3,5,7-tetrakis(4-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(4-fluorophenyl)porphyrin is sourced from PubChem (CID 67743327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).