2,18,20,24-tetrafluoro-17-phenyl-21H-porphyrin

C26H14F4N4 — CID 69023847

IUPAC2,18,20,24-tetrafluoro-17-phenyl-21H-porphyrin
SMILESFc1cc2cc3nc(cc4nc(cc5c(-c6ccccc6)c(F)c(c(F)c1[nH]2)n5F)C=C4)C=C3
InChIInChI=1S/C26H14F4N4/c27-20-12-19-11-17-7-6-15(31-17)10-16-8-9-18(32-16)13-21-22(14-4-2-1-3-5-14)23(28)26(34(21)30)24(29)25(20)33-19/h1-13,33H/b15-10-,16-10-,17-11-,18-13-,19-11-,21-13-,25-24+,26-24+
InChIKeyHIJPIGGOQNJARB-JPOWZBCOSA-N
MW458.42 g/mol
LogP6.95
Rot. Bonds1

About 2,18,20,24-tetrafluoro-17-phenyl-21H-porphyrin

2,18,20,24-tetrafluoro-17-phenyl-21H-porphyrin (PubChem CID 69023847) has the molecular formula C26H14F4N4 and a molecular weight of 458.42 g/mol. Its IUPAC name is 2,18,20,24-tetrafluoro-17-phenyl-21H-porphyrin.

Molecular Properties

Compound Name2,18,20,24-tetrafluoro-17-phenyl-21H-porphyrin
PubChem CID69023847
Molecular FormulaC26H14F4N4
Molecular Weight458.42 g/mol
Exact Mass458.12
IUPAC Name2,18,20,24-tetrafluoro-17-phenyl-21H-porphyrin
SMILESFc1cc2cc3nc(cc4nc(cc5c(-c6ccccc6)c(F)c(c(F)c1[nH]2)n5F)C=C4)C=C3
InChIInChI=1S/C26H14F4N4/c27-20-12-19-11-17-7-6-15(31-17)10-16-8-9-18(32-16)13-21-22(14-4-2-1-3-5-14)23(28)26(34(21)30)24(29)25(20)33-19/h1-13,33H/b15-10-,16-10-,17-11-,18-13-,19-11-,21-13-,25-24+,26-24+
InChIKeyHIJPIGGOQNJARB-JPOWZBCOSA-N
XLogP6.95
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.42
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,18,20,24-tetrafluoro-17-phenyl-21H-porphyrin?
The IUPAC name of 2,18,20,24-tetrafluoro-17-phenyl-21H-porphyrin (CID 69023847) is 2,18,20,24-tetrafluoro-17-phenyl-21H-porphyrin.
What is the SMILES notation for 2,18,20,24-tetrafluoro-17-phenyl-21H-porphyrin?
The canonical SMILES for 2,18,20,24-tetrafluoro-17-phenyl-21H-porphyrin is Fc1cc2cc3nc(cc4nc(cc5c(-c6ccccc6)c(F)c(c(F)c1[nH]2)n5F)C=C4)C=C3.
What is the InChIKey of 2,18,20,24-tetrafluoro-17-phenyl-21H-porphyrin?
The InChIKey is HIJPIGGOQNJARB-JPOWZBCOSA-N. The full InChI is InChI=1S/C26H14F4N4/c27-20-12-19-11-17-7-6-15(31-17)10-16-8-9-18(32-16)13-21-22(14-4-2-1-3-5-14)23(28)26(34(21)30)24(29)25(20)33-19/h1-13,33H/b15-10-,16-10-,17-11-,18-13-,19-11-,21-13-,25-24+,26-24+.
What are the key properties of 2,18,20,24-tetrafluoro-17-phenyl-21H-porphyrin?
2,18,20,24-tetrafluoro-17-phenyl-21H-porphyrin has a molecular weight of 458.42 g/mol, XLogP of 6.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,18,20,24-tetrafluoro-17-phenyl-21H-porphyrin is sourced from PubChem (CID 69023847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).