7,8,10,12,23-pentafluoro-13-phenyl-21H-porphyrin

C26H13F5N4 — CID 66980546

IUPAC7,8,10,12,23-pentafluoro-13-phenyl-21H-porphyrin
SMILESFC1=C(F)c2nc1cc1ccc(cc3nc(cc4c(-c5ccccc5)c(F)c(c2F)n4F)C=C3)[nH]1
InChIInChI=1S/C26H13F5N4/c27-21-18-11-16-8-6-14(32-16)10-15-7-9-17(33-15)12-19-20(13-4-2-1-3-5-13)22(28)26(35(19)31)24(30)25(34-18)23(21)29/h1-12,32H/b14-10-,15-10-,16-11-,17-12-,18-11-,19-12-,25-24+,26-24+
InChIKeyQYSDDVHJOGBSKR-ACHDECJQSA-N
MW476.41 g/mol
LogP7.40
Rot. Bonds1

About 7,8,10,12,23-pentafluoro-13-phenyl-21H-porphyrin

7,8,10,12,23-pentafluoro-13-phenyl-21H-porphyrin (PubChem CID 66980546) has the molecular formula C26H13F5N4 and a molecular weight of 476.41 g/mol. Its IUPAC name is 7,8,10,12,23-pentafluoro-13-phenyl-21H-porphyrin.

Molecular Properties

Compound Name7,8,10,12,23-pentafluoro-13-phenyl-21H-porphyrin
PubChem CID66980546
Molecular FormulaC26H13F5N4
Molecular Weight476.41 g/mol
Exact Mass476.11
IUPAC Name7,8,10,12,23-pentafluoro-13-phenyl-21H-porphyrin
SMILESFC1=C(F)c2nc1cc1ccc(cc3nc(cc4c(-c5ccccc5)c(F)c(c2F)n4F)C=C3)[nH]1
InChIInChI=1S/C26H13F5N4/c27-21-18-11-16-8-6-14(32-16)10-15-7-9-17(33-15)12-19-20(13-4-2-1-3-5-13)22(28)26(35(19)31)24(30)25(34-18)23(21)29/h1-12,32H/b14-10-,15-10-,16-11-,17-12-,18-11-,19-12-,25-24+,26-24+
InChIKeyQYSDDVHJOGBSKR-ACHDECJQSA-N
XLogP7.40
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.41
LogP ≤ 57.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,8,10,12,23-pentafluoro-13-phenyl-21H-porphyrin?
The IUPAC name of 7,8,10,12,23-pentafluoro-13-phenyl-21H-porphyrin (CID 66980546) is 7,8,10,12,23-pentafluoro-13-phenyl-21H-porphyrin.
What is the SMILES notation for 7,8,10,12,23-pentafluoro-13-phenyl-21H-porphyrin?
The canonical SMILES for 7,8,10,12,23-pentafluoro-13-phenyl-21H-porphyrin is FC1=C(F)c2nc1cc1ccc(cc3nc(cc4c(-c5ccccc5)c(F)c(c2F)n4F)C=C3)[nH]1.
What is the InChIKey of 7,8,10,12,23-pentafluoro-13-phenyl-21H-porphyrin?
The InChIKey is QYSDDVHJOGBSKR-ACHDECJQSA-N. The full InChI is InChI=1S/C26H13F5N4/c27-21-18-11-16-8-6-14(32-16)10-15-7-9-17(33-15)12-19-20(13-4-2-1-3-5-13)22(28)26(35(19)31)24(30)25(34-18)23(21)29/h1-12,32H/b14-10-,15-10-,16-11-,17-12-,18-11-,19-12-,25-24+,26-24+.
What are the key properties of 7,8,10,12,23-pentafluoro-13-phenyl-21H-porphyrin?
7,8,10,12,23-pentafluoro-13-phenyl-21H-porphyrin has a molecular weight of 476.41 g/mol, XLogP of 7.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,10,12,23-pentafluoro-13-phenyl-21H-porphyrin is sourced from PubChem (CID 66980546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).