2-(2,5-difluorophenyl)-21,22-dihydroporphyrin

C26H16F2N4 — CID 174379617

IUPAC2-(2,5-difluorophenyl)-21,22-dihydroporphyrin
SMILESFc1ccc(F)c(-c2cc3cc4ccc(cc5nc(cc6nc(cc2[nH]3)C=C6)C=C5)[nH]4)c1
InChIInChI=1S/C26H16F2N4/c27-15-1-8-25(28)23(9-15)24-13-22-12-20-5-4-18(30-20)10-16-2-3-17(29-16)11-19-6-7-21(31-19)14-26(24)32-22/h1-14,30,32H/b16-10-,17-11-,18-10-,19-11-,20-12-,21-14-,22-12-,26-14-
InChIKeyVUZBAXNNHBOIDU-NTZZLWEASA-N
MW422.44 g/mol
LogP6.60
Rot. Bonds1

About 2-(2,5-difluorophenyl)-21,22-dihydroporphyrin

2-(2,5-difluorophenyl)-21,22-dihydroporphyrin (PubChem CID 174379617) has the molecular formula C26H16F2N4 and a molecular weight of 422.44 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-21,22-dihydroporphyrin.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-21,22-dihydroporphyrin
PubChem CID174379617
Molecular FormulaC26H16F2N4
Molecular Weight422.44 g/mol
Exact Mass422.13
IUPAC Name2-(2,5-difluorophenyl)-21,22-dihydroporphyrin
SMILESFc1ccc(F)c(-c2cc3cc4ccc(cc5nc(cc6nc(cc2[nH]3)C=C6)C=C5)[nH]4)c1
InChIInChI=1S/C26H16F2N4/c27-15-1-8-25(28)23(9-15)24-13-22-12-20-5-4-18(30-20)10-16-2-3-17(29-16)11-19-6-7-21(31-19)14-26(24)32-22/h1-14,30,32H/b16-10-,17-11-,18-10-,19-11-,20-12-,21-14-,22-12-,26-14-
InChIKeyVUZBAXNNHBOIDU-NTZZLWEASA-N
XLogP6.60
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.44
LogP ≤ 56.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3,4,5,6-pentafluorophenyl)-21,22-dihydroporphyrin
CID 23510854
argon;2-phenyl-21,22-dihydroporphyrin
CID 174855611
zinc 21,22-dihydroporphyrin
CID 21123910
CID 175757831
CID 175757831
difluoromanganese;21,22-dihydroporphyrin
CID 71270819
21,22-dihydroporphyrin;ethene
CID 158658158
azane;21,22-dihydroporphyrin;iron
CID 175545548
disodium;21,22-dihydroporphyrin;hydride
CID 174339672
bis(21,22-dihydroporphyrin);nickel;vanadium
CID 175299729
dizinc;21,22-dihydroporphyrin;tetraiodide
CID 173436903
azanide;cobalt(2+);21,22-dihydroporphyrin
CID 175060320
azane;21,22-dihydroporphyrin;zinc
CID 175189190

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-21,22-dihydroporphyrin?
The IUPAC name of 2-(2,5-difluorophenyl)-21,22-dihydroporphyrin (CID 174379617) is 2-(2,5-difluorophenyl)-21,22-dihydroporphyrin.
What is the SMILES notation for 2-(2,5-difluorophenyl)-21,22-dihydroporphyrin?
The canonical SMILES for 2-(2,5-difluorophenyl)-21,22-dihydroporphyrin is Fc1ccc(F)c(-c2cc3cc4ccc(cc5nc(cc6nc(cc2[nH]3)C=C6)C=C5)[nH]4)c1.
What is the InChIKey of 2-(2,5-difluorophenyl)-21,22-dihydroporphyrin?
The InChIKey is VUZBAXNNHBOIDU-NTZZLWEASA-N. The full InChI is InChI=1S/C26H16F2N4/c27-15-1-8-25(28)23(9-15)24-13-22-12-20-5-4-18(30-20)10-16-2-3-17(29-16)11-19-6-7-21(31-19)14-26(24)32-22/h1-14,30,32H/b16-10-,17-11-,18-10-,19-11-,20-12-,21-14-,22-12-,26-14-.
What are the key properties of 2-(2,5-difluorophenyl)-21,22-dihydroporphyrin?
2-(2,5-difluorophenyl)-21,22-dihydroporphyrin has a molecular weight of 422.44 g/mol, XLogP of 6.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-21,22-dihydroporphyrin is sourced from PubChem (CID 174379617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).