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

C137H162Cl2N14O12Zn2-2 — CID 159901091

IUPACacetic 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
SMILESCC(=O)O.CC(=O)O.CCCCCCCCCCOc1ccc(-c2c3nc(c(-c4ccc(OCCN(C)C)cc4)c4ccc([n-]4)c(-c4ccc(OCCN(C)C)cc4)c4nc(c(-c5ccc(OCCN(C)C)cc5)c5ccc2[n-]5)C=C4)C=C3)cc1.CCCCCCCCCCOc1ccc(-c2c3nc(c(-c4ccc(OCCN(C)C)cc4)c4ccc([nH]4)c(-c4ccc(OCCN(C)C)cc4)c4nc(c(-c5ccc(OCCN(C)C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.ClCCl.[Zn].[Zn]
InChIInChI=1S/C66H77N7O4.C66H75N7O4.2C2H4O2.CH2Cl2.2Zn/c2*1-8-9-10-11-12-13-14-15-43-74-51-24-16-47(17-25-51)63-55-32-34-57(67-55)64(48-18-26-52(27-19-48)75-44-40-71(2)3)59-36-38-61(69-59)66(50-22-30-54(31-23-50)77-46-42-73(6)7)62-39-37-60(70-62)65(58-35-33-56(63)68-58)49-20-28-53(29-21-49)76-45-41-72(4)5;2*1-2(3)4;2-1-3;;/h16-39,67,70H,8-15,40-46H2,1-7H3;16-39H,8-15,40-46H2,1-7H3;2*1H3,(H,3,4);1H2;;/q;-2;;;;;/b2*63-55-,63-56-,64-57-,64-59-,65-58-,65-60-,66-61-,66-62-;;;;;
InChIKeyDAQYXGZYCMMTTJ-LEXGJVIBSA-N
MW2398.57 g/mol
LogP30.19
Rot. Bonds52

About 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

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 (PubChem CID 159901091) has the molecular formula C137H162Cl2N14O12Zn2-2 and a molecular weight of 2398.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameacetic 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
PubChem CID159901091
Molecular FormulaC137H162Cl2N14O12Zn2-2
Molecular Weight2398.57 g/mol
Exact Mass2393.05
IUPAC Nameacetic 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
SMILESCC(=O)O.CC(=O)O.CCCCCCCCCCOc1ccc(-c2c3nc(c(-c4ccc(OCCN(C)C)cc4)c4ccc([n-]4)c(-c4ccc(OCCN(C)C)cc4)c4nc(c(-c5ccc(OCCN(C)C)cc5)c5ccc2[n-]5)C=C4)C=C3)cc1.CCCCCCCCCCOc1ccc(-c2c3nc(c(-c4ccc(OCCN(C)C)cc4)c4ccc([nH]4)c(-c4ccc(OCCN(C)C)cc4)c4nc(c(-c5ccc(OCCN(C)C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.ClCCl.[Zn].[Zn]
InChIInChI=1S/C66H77N7O4.C66H75N7O4.2C2H4O2.CH2Cl2.2Zn/c2*1-8-9-10-11-12-13-14-15-43-74-51-24-16-47(17-25-51)63-55-32-34-57(67-55)64(48-18-26-52(27-19-48)75-44-40-71(2)3)59-36-38-61(69-59)66(50-22-30-54(31-23-50)77-46-42-73(6)7)62-39-37-60(70-62)65(58-35-33-56(63)68-58)49-20-28-53(29-21-49)76-45-41-72(4)5;2*1-2(3)4;2-1-3;;/h16-39,67,70H,8-15,40-46H2,1-7H3;16-39H,8-15,40-46H2,1-7H3;2*1H3,(H,3,4);1H2;;/q;-2;;;;;/b2*63-55-,63-56-,64-57-,64-59-,65-58-,65-60-,66-61-,66-62-;;;;;
InChIKeyDAQYXGZYCMMTTJ-LEXGJVIBSA-N
XLogP30.19
TPSA279.22 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds52
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002398.57
LogP ≤ 530.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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
4-[10,15,20-tris(4-octadecoxyphenyl)-21,23-dihydroporphyrin-5-yl]benzoic acid
CID 136916252
5,10,15,20-tetrakis(4-octoxyphenyl)-21,22-dihydroporphyrin
CID 11228608
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
5,10,15-triphenyl-20-[4-[6-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]hexoxy]phenyl]-21,23-dihydroporphyrin
CID 101169177
5,10,15-tris(3,5-dioctoxyphenyl)-20-phenyl-21,23-dihydroporphyrin
CID 136690948
tetrapotassium;4-[4-[10,15,20-tris[4-(3-carboxylatopropoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]butanoate
CID 136832974
5,10-bis(4-dodecoxyphenyl)-15,20-dipyridin-3-yl-21,23-dihydroporphyrin
CID 137187412
trimethyl-[4-[4-[10,15,20-tris[4-[4-(trimethylazaniumyl)butoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]butyl]azanium
CID 136707614

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)O.CC(=O)O.CCCCCCCCCCOc1ccc(-c2c3nc(c(-c4ccc(OCCN(C)C)cc4)c4ccc([n-]4)c(-c4ccc(OCCN(C)C)cc4)c4nc(c(-c5ccc(OCCN(C)C)cc5)c5ccc2[n-]5)C=C4)C=C3)cc1.CCCCCCCCCCOc1ccc(-c2c3nc(c(-c4ccc(OCCN(C)C)cc4)c4ccc([nH]4)c(-c4ccc(OCCN(C)C)cc4)c4nc(c(-c5ccc(OCCN(C)C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.ClCCl.[Zn].[Zn].
What is the InChIKey of 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?
The InChIKey is DAQYXGZYCMMTTJ-LEXGJVIBSA-N. The full InChI is InChI=1S/C66H77N7O4.C66H75N7O4.2C2H4O2.CH2Cl2.2Zn/c2*1-8-9-10-11-12-13-14-15-43-74-51-24-16-47(17-25-51)63-55-32-34-57(67-55)64(48-18-26-52(27-19-48)75-44-40-71(2)3)59-36-38-61(69-59)66(50-22-30-54(31-23-50)77-46-42-73(6)7)62-39-37-60(70-62)65(58-35-33-56(63)68-58)49-20-28-53(29-21-49)76-45-41-72(4)5;2*1-2(3)4;2-1-3;;/h16-39,67,70H,8-15,40-46H2,1-7H3;16-39H,8-15,40-46H2,1-7H3;2*1H3,(H,3,4);1H2;;/q;-2;;;;;/b2*63-55-,63-56-,64-57-,64-59-,65-58-,65-60-,66-61-,66-62-;;;;;.
What are the key properties of 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?
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 has a molecular weight of 2398.57 g/mol, XLogP of 30.19, 52 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159901091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).