5,10,15,20-tetrakis(2,4-difluorophenyl)-21,22-dihydroporphyrin

C44H22F8N4 — CID 10327777

IUPAC5,10,15,20-tetrakis(2,4-difluorophenyl)-21,22-dihydroporphyrin
SMILESFc1ccc(-c2c3nc(c(-c4ccc(F)cc4F)c4ccc([nH]4)c(-c4ccc(F)cc4F)c4ccc([nH]4)c(-c4ccc(F)cc4F)c4nc2C=C4)C=C3)c(F)c1
InChIInChI=1S/C44H22F8N4/c45-21-1-5-25(29(49)17-21)41-33-9-11-35(53-33)42(26-6-2-22(46)18-30(26)50)37-13-15-39(55-37)44(28-8-4-24(48)20-32(28)52)40-16-14-38(56-40)43(36-12-10-34(41)54-36)27-7-3-23(47)19-31(27)51/h1-20,53-54H/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
InChIKeyYCOZEIPPIGVVHJ-LWQDQPMZSA-N
MW758.67 g/mol
LogP12.44
Rot. Bonds4

About 5,10,15,20-tetrakis(2,4-difluorophenyl)-21,22-dihydroporphyrin

5,10,15,20-tetrakis(2,4-difluorophenyl)-21,22-dihydroporphyrin (PubChem CID 10327777) has the molecular formula C44H22F8N4 and a molecular weight of 758.67 g/mol. Its IUPAC name is 5,10,15,20-tetrakis(2,4-difluorophenyl)-21,22-dihydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetrakis(2,4-difluorophenyl)-21,22-dihydroporphyrin
PubChem CID10327777
Molecular FormulaC44H22F8N4
Molecular Weight758.67 g/mol
Exact Mass758.17
IUPAC Name5,10,15,20-tetrakis(2,4-difluorophenyl)-21,22-dihydroporphyrin
SMILESFc1ccc(-c2c3nc(c(-c4ccc(F)cc4F)c4ccc([nH]4)c(-c4ccc(F)cc4F)c4ccc([nH]4)c(-c4ccc(F)cc4F)c4nc2C=C4)C=C3)c(F)c1
InChIInChI=1S/C44H22F8N4/c45-21-1-5-25(29(49)17-21)41-33-9-11-35(53-33)42(26-6-2-22(46)18-30(26)50)37-13-15-39(55-37)44(28-8-4-24(48)20-32(28)52)40-16-14-38(56-40)43(36-12-10-34(41)54-36)27-7-3-23(47)19-31(27)51/h1-20,53-54H/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
InChIKeyYCOZEIPPIGVVHJ-LWQDQPMZSA-N
XLogP12.44
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.67
LogP ≤ 512.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5,10,15,20-tetrakis(2,4-difluorophenyl)-21,22-dihydroporphyrin with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-difluoro-3-[10,15,20-tris(2,4-difluoro-3-hydroxyphenyl)-21,24-dihydroporphyrin-5-yl]phenol
CID 10033387
cobalt(2+);5,10,15,20-tetrakis(4-fluorophenyl)-21,23-dihydroporphyrin
CID 175701182
iron;5,10,15,20-tetrakis(4-fluorophenyl)-21,23-dihydroporphyrin
CID 174785933
2-(2,4-difluorophenyl)-5-fluoro-1H-indole
CID 131887083
2,6-difluoro-4-[10,15,20-tris(3,5-difluoro-4-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
CID 135469238
5,10,15-tris(3,4,5-trifluorophenyl)-22,23-dihydro-21H-corrin
CID 136825566
5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin;hydrochloride
CID 172772956
2,7,12-tris(2,3,4,5,6-pentafluorophenyl)-16,17,18-triazatetracyclo[11.2.1.13,6.18,11]octadeca-1(16),2,4,6,8,10,12,14-octaene
CID 102382676
5,10,15,20-tetrakis(2,5-dichlorophenyl)-21,23-dihydroporphyrin;zinc
CID 175086452
5,10,15,20-tetrakis(2-fluoro-3-pyridinyl)-21,23-dihydroporphyrin
CID 135882310
iron(2+);5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin;dichloride
CID 175795325
15-[10,15-bis(2,3,4,5,6-pentafluorophenyl)-23,24-dihydro-22H-corrin-5-yl]-5,10-bis(2,3,4,5,6-pentafluorophenyl)-22,23-dihydro-21H-corrin
CID 137265355

Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetrakis(2,4-difluorophenyl)-21,22-dihydroporphyrin?
The IUPAC name of 5,10,15,20-tetrakis(2,4-difluorophenyl)-21,22-dihydroporphyrin (CID 10327777) is 5,10,15,20-tetrakis(2,4-difluorophenyl)-21,22-dihydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetrakis(2,4-difluorophenyl)-21,22-dihydroporphyrin?
The canonical SMILES for 5,10,15,20-tetrakis(2,4-difluorophenyl)-21,22-dihydroporphyrin is Fc1ccc(-c2c3nc(c(-c4ccc(F)cc4F)c4ccc([nH]4)c(-c4ccc(F)cc4F)c4ccc([nH]4)c(-c4ccc(F)cc4F)c4nc2C=C4)C=C3)c(F)c1.
What is the InChIKey of 5,10,15,20-tetrakis(2,4-difluorophenyl)-21,22-dihydroporphyrin?
The InChIKey is YCOZEIPPIGVVHJ-LWQDQPMZSA-N. The full InChI is InChI=1S/C44H22F8N4/c45-21-1-5-25(29(49)17-21)41-33-9-11-35(53-33)42(26-6-2-22(46)18-30(26)50)37-13-15-39(55-37)44(28-8-4-24(48)20-32(28)52)40-16-14-38(56-40)43(36-12-10-34(41)54-36)27-7-3-23(47)19-31(27)51/h1-20,53-54H/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-.
What are the key properties of 5,10,15,20-tetrakis(2,4-difluorophenyl)-21,22-dihydroporphyrin?
5,10,15,20-tetrakis(2,4-difluorophenyl)-21,22-dihydroporphyrin has a molecular weight of 758.67 g/mol, XLogP of 12.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetrakis(2,4-difluorophenyl)-21,22-dihydroporphyrin is sourced from PubChem (CID 10327777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).