2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl-trimethylazanium;2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(trimethylazaniumyl)ethoxy]phenyl]porphyrin-21,23-diid-5-yl]phenoxy]ethyl-trimethylazanium;dichloromethane;2,2,2-trifluoroacetaldehyde;zinc;hexaiodide

C141H173Cl2F3I6N14O9Zn-2 — CID 158325875

IUPAC2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl-trimethylazanium;2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(trimethylazaniumyl)ethoxy]phenyl]porphyrin-21,23-diid-5-yl]phenoxy]ethyl-trimethylazanium;dichloromethane;2,2,2-trifluoroacetaldehyde;zinc;hexaiodide
SMILESCCCCCCCCCCOc1ccc(-c2c3nc(c(-c4ccc(OCC[N+](C)(C)C)cc4)c4ccc([n-]4)c(-c4ccc(OCC[N+](C)(C)C)cc4)c4nc(c(-c5ccc(OCC[N+](C)(C)C)cc5)c5ccc2[n-]5)C=C4)C=C3)cc1.CCCCCCCCCCOc1ccc(-c2c3nc(c(-c4ccc(OCC[N+](C)(C)C)cc4)c4ccc([nH]4)c(-c4ccc(OCC[N+](C)(C)C)cc4)c4nc(c(-c5ccc(OCC[N+](C)(C)C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.ClCCl.O=CC(F)(F)F.[I-].[I-].[I-].[I-].[I-].[I-].[Zn]
InChIInChI=1S/C69H86N7O4.C69H84N7O4.C2HF3O.CH2Cl2.6HI.Zn/c2*1-11-12-13-14-15-16-17-18-46-77-54-27-19-50(20-28-54)66-58-35-37-60(70-58)67(51-21-29-55(30-22-51)78-47-43-74(2,3)4)62-39-41-64(72-62)69(53-25-33-57(34-26-53)80-49-45-76(8,9)10)65-42-40-63(73-65)68(61-38-36-59(66)71-61)52-23-31-56(32-24-52)79-48-44-75(5,6)7;3-2(4,5)1-6;2-1-3;;;;;;;/h19-42,70,73H,11-18,43-49H2,1-10H3;19-42H,11-18,43-49H2,1-10H3;1H;1H2;6*1H;/q+3;+1;;;;;;;;;/p-6/b2*66-58-,66-59-,67-60-,67-62-,68-61-,68-63-,69-64-,69-65-;;;;;;;;;
InChIKeyASEONKNNZVXYTP-XCMMYACASA-H
MW3162.74 g/mol
LogP13.65
Rot. Bonds52

About 2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl-trimethylazanium;2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(trimethylazaniumyl)ethoxy]phenyl]porphyrin-21,23-diid-5-yl]phenoxy]ethyl-trimethylazanium;dichloromethane;2,2,2-trifluoroacetaldehyde;zinc;hexaiodide

2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl-trimethylazanium;2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(trimethylazaniumyl)ethoxy]phenyl]porphyrin-21,23-diid-5-yl]phenoxy]ethyl-trimethylazanium;dichloromethane;2,2,2-trifluoroacetaldehyde;zinc;hexaiodide (PubChem CID 158325875) has the molecular formula C141H173Cl2F3I6N14O9Zn-2 and a molecular weight of 3162.74 g/mol. Its IUPAC name is 2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl-trimethylazanium;2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(trimethylazaniumyl)ethoxy]phenyl]porphyrin-21,23-diid-5-yl]phenoxy]ethyl-trimethylazanium;dichloromethane;2,2,2-trifluoroacetaldehyde;zinc;hexaiodide.

Molecular Properties

Compound Name2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl-trimethylazanium;2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(trimethylazaniumyl)ethoxy]phenyl]porphyrin-21,23-diid-5-yl]phenoxy]ethyl-trimethylazanium;dichloromethane;2,2,2-trifluoroacetaldehyde;zinc;hexaiodide
PubChem CID158325875
Molecular FormulaC141H173Cl2F3I6N14O9Zn-2
Molecular Weight3162.74 g/mol
Exact Mass3158.64
IUPAC Name2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl-trimethylazanium;2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(trimethylazaniumyl)ethoxy]phenyl]porphyrin-21,23-diid-5-yl]phenoxy]ethyl-trimethylazanium;dichloromethane;2,2,2-trifluoroacetaldehyde;zinc;hexaiodide
SMILESCCCCCCCCCCOc1ccc(-c2c3nc(c(-c4ccc(OCC[N+](C)(C)C)cc4)c4ccc([n-]4)c(-c4ccc(OCC[N+](C)(C)C)cc4)c4nc(c(-c5ccc(OCC[N+](C)(C)C)cc5)c5ccc2[n-]5)C=C4)C=C3)cc1.CCCCCCCCCCOc1ccc(-c2c3nc(c(-c4ccc(OCC[N+](C)(C)C)cc4)c4ccc([nH]4)c(-c4ccc(OCC[N+](C)(C)C)cc4)c4nc(c(-c5ccc(OCC[N+](C)(C)C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.ClCCl.O=CC(F)(F)F.[I-].[I-].[I-].[I-].[I-].[I-].[Zn]
InChIInChI=1S/C69H86N7O4.C69H84N7O4.C2HF3O.CH2Cl2.6HI.Zn/c2*1-11-12-13-14-15-16-17-18-46-77-54-27-19-50(20-28-54)66-58-35-37-60(70-58)67(51-21-29-55(30-22-51)78-47-43-74(2,3)4)62-39-41-64(72-62)69(53-25-33-57(34-26-53)80-49-45-76(8,9)10)65-42-40-63(73-65)68(61-38-36-59(66)71-61)52-23-31-56(32-24-52)79-48-44-75(5,6)7;3-2(4,5)1-6;2-1-3;;;;;;;/h19-42,70,73H,11-18,43-49H2,1-10H3;19-42H,11-18,43-49H2,1-10H3;1H;1H2;6*1H;/q+3;+1;;;;;;;;;/p-6/b2*66-58-,66-59-,67-60-,67-62-,68-61-,68-63-,69-64-,69-65-;;;;;;;;;
InChIKeyASEONKNNZVXYTP-XCMMYACASA-H
XLogP13.65
TPSA202.25 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds52
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003162.74
LogP ≤ 513.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl-trimethylazanium;2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(trimethylazaniumyl)ethoxy]phenyl]porphyrin-21,23-diid-5-yl]phenoxy]ethyl-trimethylazanium;dichloromethane;2,2,2-trifluoroacetaldehyde;zinc;hexaiodide 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

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
trimethyl-[4-[4-[10,15,20-tris[4-[4-(trimethylazaniumyl)butoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]butyl]azanium
CID 136707614
5,10,15,20-tetrakis(4-octoxyphenyl)-21,22-dihydroporphyrin
CID 11228608
copper trimethyl-[3-[4-[10,15,20-tris[4-[3-(trimethylazaniumyl)propoxy]phenyl]-21,22-dihydroporphyrin-5-yl]phenoxy]propyl]azanium
CID 10011498
5,10,15-tris(4-octoxyphenyl)-20-phenyl-21,23-dihydroporphyrin
CID 136819984
4-[10,15,20-tris(4-octadecoxyphenyl)-21,23-dihydroporphyrin-5-yl]benzoic acid
CID 136916252
5,15-bis(4-octadecoxyphenyl)-10,20-dipyridin-4-yl-21,23-dihydroporphyrin
CID 136754426
3-[4-[15-(4-dodecoxyphenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]propyl-dimethyl-[3-(trimethylazaniumyl)propyl]azanium dichloride
CID 135535833
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
5,10,15-tris(3,5-dioctoxyphenyl)-20-phenyl-21,23-dihydroporphyrin
CID 136690948
5,10-bis(4-dodecoxyphenyl)-15,20-dipyridin-3-yl-21,23-dihydroporphyrin
CID 137187412

Frequently Asked Questions

What is the IUPAC name of 2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl-trimethylazanium;2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(trimethylazaniumyl)ethoxy]phenyl]porphyrin-21,23-diid-5-yl]phenoxy]ethyl-trimethylazanium;dichloromethane;2,2,2-trifluoroacetaldehyde;zinc;hexaiodide?
The IUPAC name of 2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl-trimethylazanium;2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(trimethylazaniumyl)ethoxy]phenyl]porphyrin-21,23-diid-5-yl]phenoxy]ethyl-trimethylazanium;dichloromethane;2,2,2-trifluoroacetaldehyde;zinc;hexaiodide (CID 158325875) is 2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl-trimethylazanium;2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(trimethylazaniumyl)ethoxy]phenyl]porphyrin-21,23-diid-5-yl]phenoxy]ethyl-trimethylazanium;dichloromethane;2,2,2-trifluoroacetaldehyde;zinc;hexaiodide.
What is the SMILES notation for 2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl-trimethylazanium;2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(trimethylazaniumyl)ethoxy]phenyl]porphyrin-21,23-diid-5-yl]phenoxy]ethyl-trimethylazanium;dichloromethane;2,2,2-trifluoroacetaldehyde;zinc;hexaiodide?
The canonical SMILES for 2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl-trimethylazanium;2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(trimethylazaniumyl)ethoxy]phenyl]porphyrin-21,23-diid-5-yl]phenoxy]ethyl-trimethylazanium;dichloromethane;2,2,2-trifluoroacetaldehyde;zinc;hexaiodide is CCCCCCCCCCOc1ccc(-c2c3nc(c(-c4ccc(OCC[N+](C)(C)C)cc4)c4ccc([n-]4)c(-c4ccc(OCC[N+](C)(C)C)cc4)c4nc(c(-c5ccc(OCC[N+](C)(C)C)cc5)c5ccc2[n-]5)C=C4)C=C3)cc1.CCCCCCCCCCOc1ccc(-c2c3nc(c(-c4ccc(OCC[N+](C)(C)C)cc4)c4ccc([nH]4)c(-c4ccc(OCC[N+](C)(C)C)cc4)c4nc(c(-c5ccc(OCC[N+](C)(C)C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.ClCCl.O=CC(F)(F)F.[I-].[I-].[I-].[I-].[I-].[I-].[Zn].
What is the InChIKey of 2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl-trimethylazanium;2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(trimethylazaniumyl)ethoxy]phenyl]porphyrin-21,23-diid-5-yl]phenoxy]ethyl-trimethylazanium;dichloromethane;2,2,2-trifluoroacetaldehyde;zinc;hexaiodide?
The InChIKey is ASEONKNNZVXYTP-XCMMYACASA-H. The full InChI is InChI=1S/C69H86N7O4.C69H84N7O4.C2HF3O.CH2Cl2.6HI.Zn/c2*1-11-12-13-14-15-16-17-18-46-77-54-27-19-50(20-28-54)66-58-35-37-60(70-58)67(51-21-29-55(30-22-51)78-47-43-74(2,3)4)62-39-41-64(72-62)69(53-25-33-57(34-26-53)80-49-45-76(8,9)10)65-42-40-63(73-65)68(61-38-36-59(66)71-61)52-23-31-56(32-24-52)79-48-44-75(5,6)7;3-2(4,5)1-6;2-1-3;;;;;;;/h19-42,70,73H,11-18,43-49H2,1-10H3;19-42H,11-18,43-49H2,1-10H3;1H;1H2;6*1H;/q+3;+1;;;;;;;;;/p-6/b2*66-58-,66-59-,67-60-,67-62-,68-61-,68-63-,69-64-,69-65-;;;;;;;;;.
What are the key properties of 2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl-trimethylazanium;2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(trimethylazaniumyl)ethoxy]phenyl]porphyrin-21,23-diid-5-yl]phenoxy]ethyl-trimethylazanium;dichloromethane;2,2,2-trifluoroacetaldehyde;zinc;hexaiodide?
2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl-trimethylazanium;2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(trimethylazaniumyl)ethoxy]phenyl]porphyrin-21,23-diid-5-yl]phenoxy]ethyl-trimethylazanium;dichloromethane;2,2,2-trifluoroacetaldehyde;zinc;hexaiodide has a molecular weight of 3162.74 g/mol, XLogP of 13.65, 52 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl-trimethylazanium;2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(trimethylazaniumyl)ethoxy]phenyl]porphyrin-21,23-diid-5-yl]phenoxy]ethyl-trimethylazanium;dichloromethane;2,2,2-trifluoroacetaldehyde;zinc;hexaiodide is sourced from PubChem (CID 158325875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).