zinc 5-(4-methylphenyl)-15-(4-octadecoxyphenyl)porphyrin-22,24-diide

C51H58N4OZn — CID 146998924

IUPACzinc 5-(4-methylphenyl)-15-(4-octadecoxyphenyl)porphyrin-22,24-diide
SMILESCCCCCCCCCCCCCCCCCCOc1ccc(-c2c3nc(cc4ccc([n-]4)c(-c4ccc(C)cc4)c4nc(cc5ccc2[n-]5)C=C4)C=C3)cc1.[Zn+2]
InChIInChI=1S/C51H58N4O.Zn/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-35-56-45-29-23-40(24-30-45)51-48-33-27-43(54-48)36-41-25-31-46(52-41)50(39-21-19-38(2)20-22-39)47-32-26-42(53-47)37-44-28-34-49(51)55-44;/h19-34,36-37H,3-18,35H2,1-2H3;/q-2;+2/b41-36-,42-37-,43-36-,44-37-,50-46-,50-47-,51-48-,51-49-;
InChIKeyARQSNRHOVZKETR-LEYSZKRASA-N
MW808.44 g/mol
LogP14.19
Rot. Bonds20

About zinc 5-(4-methylphenyl)-15-(4-octadecoxyphenyl)porphyrin-22,24-diide

zinc 5-(4-methylphenyl)-15-(4-octadecoxyphenyl)porphyrin-22,24-diide (PubChem CID 146998924) has the molecular formula C51H58N4OZn and a molecular weight of 808.44 g/mol. Its IUPAC name is zinc 5-(4-methylphenyl)-15-(4-octadecoxyphenyl)porphyrin-22,24-diide.

Molecular Properties

Compound Namezinc 5-(4-methylphenyl)-15-(4-octadecoxyphenyl)porphyrin-22,24-diide
PubChem CID146998924
Molecular FormulaC51H58N4OZn
Molecular Weight808.44 g/mol
Exact Mass806.39
IUPAC Namezinc 5-(4-methylphenyl)-15-(4-octadecoxyphenyl)porphyrin-22,24-diide
SMILESCCCCCCCCCCCCCCCCCCOc1ccc(-c2c3nc(cc4ccc([n-]4)c(-c4ccc(C)cc4)c4nc(cc5ccc2[n-]5)C=C4)C=C3)cc1.[Zn+2]
InChIInChI=1S/C51H58N4O.Zn/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-35-56-45-29-23-40(24-30-45)51-48-33-27-43(54-48)36-41-25-31-46(52-41)50(39-21-19-38(2)20-22-39)47-32-26-42(53-47)37-44-28-34-49(51)55-44;/h19-34,36-37H,3-18,35H2,1-2H3;/q-2;+2/b41-36-,42-37-,43-36-,44-37-,50-46-,50-47-,51-48-,51-49-;
InChIKeyARQSNRHOVZKETR-LEYSZKRASA-N
XLogP14.19
TPSA63.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.44
LogP ≤ 514.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze zinc 5-(4-methylphenyl)-15-(4-octadecoxyphenyl)porphyrin-22,24-diide 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

tetrazinc;5-[10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diid-5-yl]-15-[4-[15-[10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diid-5-yl]-10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diid-5-yl]buta-1,3-diynyl]-10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diide
CID 165368231
zinc 5,15-bis[4-(3-methylsulfonylpropoxy)phenyl]porphyrin-21,22-diide
CID 10327984
zinc 2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(dimethylamino)ethoxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]-N,N-dimethylethanamine
CID 58261019
5-(4-dodecoxyphenyl)-15-phenyl-21,23-dihydroporphyrin
CID 141095014
5,10,15,20-tetrakis(4-octoxyphenyl)-21,22-dihydroporphyrin
CID 11228608
dizinc;ethyl 4-[15-(4-ethoxycarbonylphenyl)-10-[2-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenyl]porphyrin-21,23-diid-5-yl]benzoate
CID 146020191
3-[4-[15-(4-dodecoxyphenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]propyl-dimethyl-[3-(trimethylazaniumyl)propyl]azanium dichloride
CID 135535833
5,15-bis(3,5-dipentoxyphenyl)-21,23-dihydroporphyrin
CID 136760152
5,10,15-tris(4-octoxyphenyl)-20-phenyl-21,23-dihydroporphyrin
CID 136819984
5,15-bis(4-octadecoxyphenyl)-10,20-dipyridin-4-yl-21,23-dihydroporphyrin
CID 136754426
3-[4-[10,15-bis[4-[3-(trimethylazaniumyl)propoxy]phenyl]-20-(4-undecoxyphenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]propyl-trimethylazanium triiodide
CID 135469270
acetic acid;2-[4-[20-(4-decoxyphenyl)-10,15-bis[4-[2-(dimethylamino)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]-N,N-dimethylethanamine;2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(dimethylamino)ethoxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]-N,N-dimethylethanamine;dichloromethane;zinc
CID 159901091

Frequently Asked Questions

What is the IUPAC name of zinc 5-(4-methylphenyl)-15-(4-octadecoxyphenyl)porphyrin-22,24-diide?
The IUPAC name of zinc 5-(4-methylphenyl)-15-(4-octadecoxyphenyl)porphyrin-22,24-diide (CID 146998924) is zinc 5-(4-methylphenyl)-15-(4-octadecoxyphenyl)porphyrin-22,24-diide.
What is the SMILES notation for zinc 5-(4-methylphenyl)-15-(4-octadecoxyphenyl)porphyrin-22,24-diide?
The canonical SMILES for zinc 5-(4-methylphenyl)-15-(4-octadecoxyphenyl)porphyrin-22,24-diide is CCCCCCCCCCCCCCCCCCOc1ccc(-c2c3nc(cc4ccc([n-]4)c(-c4ccc(C)cc4)c4nc(cc5ccc2[n-]5)C=C4)C=C3)cc1.[Zn+2].
What is the InChIKey of zinc 5-(4-methylphenyl)-15-(4-octadecoxyphenyl)porphyrin-22,24-diide?
The InChIKey is ARQSNRHOVZKETR-LEYSZKRASA-N. The full InChI is InChI=1S/C51H58N4O.Zn/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-35-56-45-29-23-40(24-30-45)51-48-33-27-43(54-48)36-41-25-31-46(52-41)50(39-21-19-38(2)20-22-39)47-32-26-42(53-47)37-44-28-34-49(51)55-44;/h19-34,36-37H,3-18,35H2,1-2H3;/q-2;+2/b41-36-,42-37-,43-36-,44-37-,50-46-,50-47-,51-48-,51-49-;.
What are the key properties of zinc 5-(4-methylphenyl)-15-(4-octadecoxyphenyl)porphyrin-22,24-diide?
zinc 5-(4-methylphenyl)-15-(4-octadecoxyphenyl)porphyrin-22,24-diide has a molecular weight of 808.44 g/mol, XLogP of 14.19, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for zinc 5-(4-methylphenyl)-15-(4-octadecoxyphenyl)porphyrin-22,24-diide is sourced from PubChem (CID 146998924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).