2-(4-chlorophenyl)-3-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]-1,3-thiazolidin-4-one

C53H36ClN5OS — CID 137178215

IUPAC2-(4-chlorophenyl)-3-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(Cl)cc2)N1c1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C53H36ClN5OS/c54-38-20-16-37(17-21-38)53-59(48(60)32-61-53)39-22-18-36(19-23-39)52-46-30-28-44(57-46)50(34-12-6-2-7-13-34)42-26-24-40(55-42)49(33-10-4-1-5-11-33)41-25-27-43(56-41)51(35-14-8-3-9-15-35)45-29-31-47(52)58-45/h1-31,53,55,58H,32H2/b49-40-,49-41-,50-42-,50-44-,51-43-,51-45-,52-46-,52-47-
InChIKeyPSEUQPAIYHKXKN-IXAFCNGASA-N
MW826.43 g/mol
LogP13.76
Rot. Bonds6

About 2-(4-chlorophenyl)-3-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]-1,3-thiazolidin-4-one

2-(4-chlorophenyl)-3-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]-1,3-thiazolidin-4-one (PubChem CID 137178215) has the molecular formula C53H36ClN5OS and a molecular weight of 826.43 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]-1,3-thiazolidin-4-one
PubChem CID137178215
Molecular FormulaC53H36ClN5OS
Molecular Weight826.43 g/mol
Exact Mass825.23
IUPAC Name2-(4-chlorophenyl)-3-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(Cl)cc2)N1c1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C53H36ClN5OS/c54-38-20-16-37(17-21-38)53-59(48(60)32-61-53)39-22-18-36(19-23-39)52-46-30-28-44(57-46)50(34-12-6-2-7-13-34)42-26-24-40(55-42)49(33-10-4-1-5-11-33)41-25-27-43(56-41)51(35-14-8-3-9-15-35)45-29-31-47(52)58-45/h1-31,53,55,58H,32H2/b49-40-,49-41-,50-42-,50-44-,51-43-,51-45-,52-46-,52-47-
InChIKeyPSEUQPAIYHKXKN-IXAFCNGASA-N
XLogP13.76
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.43
LogP ≤ 513.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenyl)-3-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]-1,3-thiazolidin-4-one with MolForge

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Related Compounds

(2S)-3-[4-[(2S)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]phenyl]-2-phenyl-1,3-thiazolidin-4-one
CID 1041463
3-[4-(4-chlorophenoxy)phenyl]-2-(3-phenylphenyl)-1,3-thiazolidin-4-one
CID 87722066
1-[4-[20-[4-(2,5-dioxopyrrol-1-yl)phenyl]-10,15-diphenyl-21,23-dihydroporphyrin-5-yl]phenyl]pyrrole-2,5-dione
CID 136703643
4-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]morpholine-3,5-dione
CID 137248530
2-(4-chlorophenyl)-3-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one
CID 10761913
1-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl]pyrrolidin-2-one
CID 10974504
N-(4-chlorophenyl)-10,15,20-triphenyl-21,23-dihydroporphyrin-5-amine
CID 135909496
2-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-1,3-thiazolidin-4-one
CID 2987831
2-(4-chlorophenyl)-3-(3-fluorophenyl)-1,3-thiazolidin-4-one
CID 4232760
manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride
CID 11657844
(2R,3S)-5,10,15,20-tetraphenyl-2,3,21,23-tetrahydroporphyrin-2,3-diol
CID 136715659
copper;4-[10,15,20-tris(4-chlorophenyl)-21,23-dihydroporphyrin-5-yl]phenol
CID 175008074

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-3-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]-1,3-thiazolidin-4-one (CID 137178215) is 2-(4-chlorophenyl)-3-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-3-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-3-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]-1,3-thiazolidin-4-one is O=C1CSC(c2ccc(Cl)cc2)N1c1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]-1,3-thiazolidin-4-one?
The InChIKey is PSEUQPAIYHKXKN-IXAFCNGASA-N. The full InChI is InChI=1S/C53H36ClN5OS/c54-38-20-16-37(17-21-38)53-59(48(60)32-61-53)39-22-18-36(19-23-39)52-46-30-28-44(57-46)50(34-12-6-2-7-13-34)42-26-24-40(55-42)49(33-10-4-1-5-11-33)41-25-27-43(56-41)51(35-14-8-3-9-15-35)45-29-31-47(52)58-45/h1-31,53,55,58H,32H2/b49-40-,49-41-,50-42-,50-44-,51-43-,51-45-,52-46-,52-47-.
What are the key properties of 2-(4-chlorophenyl)-3-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]-1,3-thiazolidin-4-one?
2-(4-chlorophenyl)-3-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]-1,3-thiazolidin-4-one has a molecular weight of 826.43 g/mol, XLogP of 13.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 137178215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).