5,10-bis(2-methoxyphenyl)-15,20-bis(2-methylphenyl)-21,23-dihydroporphyrin;carbanide;cobalt(3+);1,2-dibromoethane;dichloromethane;N,N-dimethylmethanamine;ethane;methane;2-methoxybenzaldehyde;oxolane;1H-pyrrole;5,10,15,20-tetrakis[2-(2-bromoethoxy)phenyl]-21,23-dihydroporphyrin;tribromoborane;trimethyl-[2-[2-[15-[2-[2-(methylamino)ethoxy]phenyl]-20-(2-propoxyphenyl)-10-[2-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl]azanium;trimethyl-[2-[2-[10-[2-[2-(methylamino)ethoxy]phenyl]-15-(2-propoxyphenyl)-20-[2-[2-(trimethylazaniumyl)ethoxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]ethyl]azanium;2-[10,15,20-tris(2-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol;octabromide

C292H297BBr17Cl2CoN28O21-4 — CID 159605158

IUPAC5,10-bis(2-methoxyphenyl)-15,20-bis(2-methylphenyl)-21,23-dihydroporphyrin;carbanide;cobalt(3+);1,2-dibromoethane;dichloromethane;N,N-dimethylmethanamine;ethane;methane;2-methoxybenzaldehyde;oxolane;1H-pyrrole;5,10,15,20-tetrakis[2-(2-bromoethoxy)phenyl]-21,23-dihydroporphyrin;tribromoborane;trimethyl-[2-[2-[15-[2-[2-(methylamino)ethoxy]phenyl]-20-(2-propoxyphenyl)-10-[2-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl]azanium;trimethyl-[2-[2-[10-[2-[2-(methylamino)ethoxy]phenyl]-15-(2-propoxyphenyl)-20-[2-[2-(trimethylazaniumyl)ethoxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]ethyl]azanium;2-[10,15,20-tris(2-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol;octabromide
SMILESBrB(Br)Br.BrCCBr.BrCCOc1ccccc1-c1c2nc(c(-c3ccccc3OCCBr)c3ccc([nH]3)c(-c3ccccc3OCCBr)c3nc(c(-c4ccccc4OCCBr)c4ccc1[nH]4)C=C3)C=C2.C.C1CCOC1.CC.CC.CCCOc1ccccc1-c1c2nc(c(-c3ccccc3OCCNC)c3ccc([n-]3)c(-c3ccccc3OCC[N+](C)(C)C)c3nc(c(-c4ccccc4OCC[N+](C)(C)C)c4ccc1[n-]4)C=C3)C=C2.CCCOc1ccccc1-c1c2nc(c(-c3ccccc3OCCNC)c3ccc([nH]3)c(-c3ccccc3OCC[N+](C)(C)C)c3nc(c(-c4ccccc4OCC[N+](C)(C)C)c4ccc1[nH]4)C=C3)C=C2.CN(C)C.COc1ccccc1-c1c2nc(c(-c3ccccc3OC)c3ccc([nH]3)c(-c3ccccc3C)c3nc(c(-c4ccccc4C)c4ccc1[nH]4)C=C3)C=C2.COc1ccccc1C=O.ClCCl.Oc1ccccc1-c1c2nc(c(-c3ccccc3O)c3ccc([nH]3)c(-c3ccccc3O)c3nc(c(-c4ccccc4O)c4ccc1[nH]4)C=C3)C=C2.[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[CH3-].[Co+3].c1cc[nH]c1
InChIInChI=1S/C60H67N7O4.C60H65N7O4.C52H42Br4N4O4.C48H38N4O2.C44H30N4O4.C8H8O2.C4H5N.C4H8O.C3H9N.C2H4Br2.2C2H6.CH2Cl2.CH4.CH3.BBr3.8BrH.Co/c2*1-9-37-68-53-22-14-10-18-41(53)57-45-26-28-47(62-45)58(42-19-11-15-23-54(42)69-38-34-61-2)48-29-31-50(64-48)60(44-21-13-17-25-56(44)71-40-36-67(6,7)8)52-33-32-51(65-52)59(49-30-27-46(57)63-49)43-20-12-16-24-55(43)70-39-35-66(3,4)5;53-25-29-61-45-13-5-1-9-33(45)49-37-17-19-39(57-37)50(34-10-2-6-14-46(34)62-30-26-54)41-21-23-43(59-41)52(36-12-4-8-16-48(36)64-32-28-56)44-24-22-42(60-44)51(40-20-18-38(49)58-40)35-11-3-7-15-47(35)63-31-27-55;1-29-13-5-7-15-31(29)45-35-21-22-36(49-35)46(32-16-8-6-14-30(32)2)38-24-26-40(51-38)48(34-18-10-12-20-44(34)54-4)42-28-27-41(52-42)47(39-25-23-37(45)50-39)33-17-9-11-19-43(33)53-3;49-37-13-5-1-9-25(37)41-29-17-19-31(45-29)42(26-10-2-6-14-38(26)50)33-21-23-35(47-33)44(28-12-4-8-16-40(28)52)36-24-22-34(48-36)43(32-20-18-30(41)46-32)27-11-3-7-15-39(27)51;1-10-8-5-3-2-4-7(8)6-9;2*1-2-4-5-3-1;1-4(2)3;3-1-2-4;2*1-2;2-1-3;;;2-1(3)4;;;;;;;;;/h10-33,61,63-64H,9,34-40H2,1-8H3;10-33,61H,9,34-40H2,1-8H3;1-24,57,60H,25-32H2;5-28,50-51H,1-4H3;1-24,45,48-52H;2-6H,1H3;1-5H;1-4H2;1-3H3;1-2H2;2*1-2H3;1H2;1H4;1H3;;8*1H;/q+2;;;;;;;;;;;;;;-1;;;;;;;;;;+3/p-8/b2*57-45-,57-46-,58-47-,58-48-,59-49-,59-51-,60-50-,60-52-;49-37-,49-38-,50-39-,50-41-,51-40-,51-42-,52-43-,52-44-;45-35-,45-37-,46-36-,46-38-,47-39-,47-41-,48-40-,48-42-;41-29-,41-30-,42-31-,42-33-,43-32-,43-34-,44-35-,44-36-;;;;;;;;;;;;;;;;;;;;
InChIKeyPOPFVFQKWKQFDD-IGXHULPJSA-F
MW6033.78 g/mol
LogP47.56
Rot. Bonds67

About 5,10-bis(2-methoxyphenyl)-15,20-bis(2-methylphenyl)-21,23-dihydroporphyrin;carbanide;cobalt(3+);1,2-dibromoethane;dichloromethane;N,N-dimethylmethanamine;ethane;methane;2-methoxybenzaldehyde;oxolane;1H-pyrrole;5,10,15,20-tetrakis[2-(2-bromoethoxy)phenyl]-21,23-dihydroporphyrin;tribromoborane;trimethyl-[2-[2-[15-[2-[2-(methylamino)ethoxy]phenyl]-20-(2-propoxyphenyl)-10-[2-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl]azanium;trimethyl-[2-[2-[10-[2-[2-(methylamino)ethoxy]phenyl]-15-(2-propoxyphenyl)-20-[2-[2-(trimethylazaniumyl)ethoxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]ethyl]azanium;2-[10,15,20-tris(2-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol;octabromide

5,10-bis(2-methoxyphenyl)-15,20-bis(2-methylphenyl)-21,23-dihydroporphyrin;carbanide;cobalt(3+);1,2-dibromoethane;dichloromethane;N,N-dimethylmethanamine;ethane;methane;2-methoxybenzaldehyde;oxolane;1H-pyrrole;5,10,15,20-tetrakis[2-(2-bromoethoxy)phenyl]-21,23-dihydroporphyrin;tribromoborane;trimethyl-[2-[2-[15-[2-[2-(methylamino)ethoxy]phenyl]-20-(2-propoxyphenyl)-10-[2-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl]azanium;trimethyl-[2-[2-[10-[2-[2-(methylamino)ethoxy]phenyl]-15-(2-propoxyphenyl)-20-[2-[2-(trimethylazaniumyl)ethoxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]ethyl]azanium;2-[10,15,20-tris(2-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol;octabromide (PubChem CID 159605158) has the molecular formula C292H297BBr17Cl2CoN28O21-4 and a molecular weight of 6033.78 g/mol. Its IUPAC name is 5,10-bis(2-methoxyphenyl)-15,20-bis(2-methylphenyl)-21,23-dihydroporphyrin;carbanide;cobalt(3+);1,2-dibromoethane;dichloromethane;N,N-dimethylmethanamine;ethane;methane;2-methoxybenzaldehyde;oxolane;1H-pyrrole;5,10,15,20-tetrakis[2-(2-bromoethoxy)phenyl]-21,23-dihydroporphyrin;tribromoborane;trimethyl-[2-[2-[15-[2-[2-(methylamino)ethoxy]phenyl]-20-(2-propoxyphenyl)-10-[2-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl]azanium;trimethyl-[2-[2-[10-[2-[2-(methylamino)ethoxy]phenyl]-15-(2-propoxyphenyl)-20-[2-[2-(trimethylazaniumyl)ethoxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]ethyl]azanium;2-[10,15,20-tris(2-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol;octabromide.

Molecular Properties

Compound Name5,10-bis(2-methoxyphenyl)-15,20-bis(2-methylphenyl)-21,23-dihydroporphyrin;carbanide;cobalt(3+);1,2-dibromoethane;dichloromethane;N,N-dimethylmethanamine;ethane;methane;2-methoxybenzaldehyde;oxolane;1H-pyrrole;5,10,15,20-tetrakis[2-(2-bromoethoxy)phenyl]-21,23-dihydroporphyrin;tribromoborane;trimethyl-[2-[2-[15-[2-[2-(methylamino)ethoxy]phenyl]-20-(2-propoxyphenyl)-10-[2-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl]azanium;trimethyl-[2-[2-[10-[2-[2-(methylamino)ethoxy]phenyl]-15-(2-propoxyphenyl)-20-[2-[2-(trimethylazaniumyl)ethoxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]ethyl]azanium;2-[10,15,20-tris(2-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol;octabromide
PubChem CID159605158
Molecular FormulaC292H297BBr17Cl2CoN28O21-4
Molecular Weight6033.78 g/mol
Exact Mass6012.80
IUPAC Name5,10-bis(2-methoxyphenyl)-15,20-bis(2-methylphenyl)-21,23-dihydroporphyrin;carbanide;cobalt(3+);1,2-dibromoethane;dichloromethane;N,N-dimethylmethanamine;ethane;methane;2-methoxybenzaldehyde;oxolane;1H-pyrrole;5,10,15,20-tetrakis[2-(2-bromoethoxy)phenyl]-21,23-dihydroporphyrin;tribromoborane;trimethyl-[2-[2-[15-[2-[2-(methylamino)ethoxy]phenyl]-20-(2-propoxyphenyl)-10-[2-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl]azanium;trimethyl-[2-[2-[10-[2-[2-(methylamino)ethoxy]phenyl]-15-(2-propoxyphenyl)-20-[2-[2-(trimethylazaniumyl)ethoxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]ethyl]azanium;2-[10,15,20-tris(2-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol;octabromide
SMILESBrB(Br)Br.BrCCBr.BrCCOc1ccccc1-c1c2nc(c(-c3ccccc3OCCBr)c3ccc([nH]3)c(-c3ccccc3OCCBr)c3nc(c(-c4ccccc4OCCBr)c4ccc1[nH]4)C=C3)C=C2.C.C1CCOC1.CC.CC.CCCOc1ccccc1-c1c2nc(c(-c3ccccc3OCCNC)c3ccc([n-]3)c(-c3ccccc3OCC[N+](C)(C)C)c3nc(c(-c4ccccc4OCC[N+](C)(C)C)c4ccc1[n-]4)C=C3)C=C2.CCCOc1ccccc1-c1c2nc(c(-c3ccccc3OCCNC)c3ccc([nH]3)c(-c3ccccc3OCC[N+](C)(C)C)c3nc(c(-c4ccccc4OCC[N+](C)(C)C)c4ccc1[nH]4)C=C3)C=C2.CN(C)C.COc1ccccc1-c1c2nc(c(-c3ccccc3OC)c3ccc([nH]3)c(-c3ccccc3C)c3nc(c(-c4ccccc4C)c4ccc1[nH]4)C=C3)C=C2.COc1ccccc1C=O.ClCCl.Oc1ccccc1-c1c2nc(c(-c3ccccc3O)c3ccc([nH]3)c(-c3ccccc3O)c3nc(c(-c4ccccc4O)c4ccc1[nH]4)C=C3)C=C2.[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[CH3-].[Co+3].c1cc[nH]c1
InChIInChI=1S/C60H67N7O4.C60H65N7O4.C52H42Br4N4O4.C48H38N4O2.C44H30N4O4.C8H8O2.C4H5N.C4H8O.C3H9N.C2H4Br2.2C2H6.CH2Cl2.CH4.CH3.BBr3.8BrH.Co/c2*1-9-37-68-53-22-14-10-18-41(53)57-45-26-28-47(62-45)58(42-19-11-15-23-54(42)69-38-34-61-2)48-29-31-50(64-48)60(44-21-13-17-25-56(44)71-40-36-67(6,7)8)52-33-32-51(65-52)59(49-30-27-46(57)63-49)43-20-12-16-24-55(43)70-39-35-66(3,4)5;53-25-29-61-45-13-5-1-9-33(45)49-37-17-19-39(57-37)50(34-10-2-6-14-46(34)62-30-26-54)41-21-23-43(59-41)52(36-12-4-8-16-48(36)64-32-28-56)44-24-22-42(60-44)51(40-20-18-38(49)58-40)35-11-3-7-15-47(35)63-31-27-55;1-29-13-5-7-15-31(29)45-35-21-22-36(49-35)46(32-16-8-6-14-30(32)2)38-24-26-40(51-38)48(34-18-10-12-20-44(34)54-4)42-28-27-41(52-42)47(39-25-23-37(45)50-39)33-17-9-11-19-43(33)53-3;49-37-13-5-1-9-25(37)41-29-17-19-31(45-29)42(26-10-2-6-14-38(26)50)33-21-23-35(47-33)44(28-12-4-8-16-40(28)52)36-24-22-34(48-36)43(32-20-18-30(41)46-32)27-11-3-7-15-39(27)51;1-10-8-5-3-2-4-7(8)6-9;2*1-2-4-5-3-1;1-4(2)3;3-1-2-4;2*1-2;2-1-3;;;2-1(3)4;;;;;;;;;/h10-33,61,63-64H,9,34-40H2,1-8H3;10-33,61H,9,34-40H2,1-8H3;1-24,57,60H,25-32H2;5-28,50-51H,1-4H3;1-24,45,48-52H;2-6H,1H3;1-5H;1-4H2;1-3H3;1-2H2;2*1-2H3;1H2;1H4;1H3;;8*1H;/q+2;;;;;;;;;;;;;;-1;;;;;;;;;;+3/p-8/b2*57-45-,57-46-,58-47-,58-48-,59-49-,59-51-,60-50-,60-52-;49-37-,49-38-,50-39-,50-41-,51-40-,51-42-,52-43-,52-44-;45-35-,45-37-,46-36-,46-38-,47-39-,47-41-,48-40-,48-42-;41-29-,41-30-,42-31-,42-33-,43-32-,43-34-,44-35-,44-36-;;;;;;;;;;;;;;;;;;;;
InChIKeyPOPFVFQKWKQFDD-IGXHULPJSA-F
XLogP47.56
TPSA572.18 Ų
H-Bond Donors15
H-Bond Acceptors34
Rotatable Bonds67
Heavy Atoms362
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006033.78
LogP ≤ 547.56
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1034

Analyze 5,10-bis(2-methoxyphenyl)-15,20-bis(2-methylphenyl)-21,23-dihydroporphyrin;carbanide;cobalt(3+);1,2-dibromoethane;dichloromethane;N,N-dimethylmethanamine;ethane;methane;2-methoxybenzaldehyde;oxolane;1H-pyrrole;5,10,15,20-tetrakis[2-(2-bromoethoxy)phenyl]-21,23-dihydroporphyrin;tribromoborane;trimethyl-[2-[2-[15-[2-[2-(methylamino)ethoxy]phenyl]-20-(2-propoxyphenyl)-10-[2-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl]azanium;trimethyl-[2-[2-[10-[2-[2-(methylamino)ethoxy]phenyl]-15-(2-propoxyphenyl)-20-[2-[2-(trimethylazaniumyl)ethoxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]ethyl]azanium;2-[10,15,20-tris(2-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol;octabromide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,10-bis(2-methoxyphenyl)-15,20-bis(2-methylphenyl)-21,23-dihydroporphyrin;carbanide;cobalt(3+);1,2-dibromoethane;dichloromethane;N,N-dimethylmethanamine;ethane;methane;2-methoxybenzaldehyde;oxolane;1H-pyrrole;5,10,15,20-tetrakis[2-(2-bromoethoxy)phenyl]-21,23-dihydroporphyrin;tribromoborane;trimethyl-[2-[2-[15-[2-[2-(methylamino)ethoxy]phenyl]-20-(2-propoxyphenyl)-10-[2-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl]azanium;trimethyl-[2-[2-[10-[2-[2-(methylamino)ethoxy]phenyl]-15-(2-propoxyphenyl)-20-[2-[2-(trimethylazaniumyl)ethoxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]ethyl]azanium;2-[10,15,20-tris(2-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol;octabromide?
The IUPAC name of 5,10-bis(2-methoxyphenyl)-15,20-bis(2-methylphenyl)-21,23-dihydroporphyrin;carbanide;cobalt(3+);1,2-dibromoethane;dichloromethane;N,N-dimethylmethanamine;ethane;methane;2-methoxybenzaldehyde;oxolane;1H-pyrrole;5,10,15,20-tetrakis[2-(2-bromoethoxy)phenyl]-21,23-dihydroporphyrin;tribromoborane;trimethyl-[2-[2-[15-[2-[2-(methylamino)ethoxy]phenyl]-20-(2-propoxyphenyl)-10-[2-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl]azanium;trimethyl-[2-[2-[10-[2-[2-(methylamino)ethoxy]phenyl]-15-(2-propoxyphenyl)-20-[2-[2-(trimethylazaniumyl)ethoxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]ethyl]azanium;2-[10,15,20-tris(2-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol;octabromide (CID 159605158) is 5,10-bis(2-methoxyphenyl)-15,20-bis(2-methylphenyl)-21,23-dihydroporphyrin;carbanide;cobalt(3+);1,2-dibromoethane;dichloromethane;N,N-dimethylmethanamine;ethane;methane;2-methoxybenzaldehyde;oxolane;1H-pyrrole;5,10,15,20-tetrakis[2-(2-bromoethoxy)phenyl]-21,23-dihydroporphyrin;tribromoborane;trimethyl-[2-[2-[15-[2-[2-(methylamino)ethoxy]phenyl]-20-(2-propoxyphenyl)-10-[2-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl]azanium;trimethyl-[2-[2-[10-[2-[2-(methylamino)ethoxy]phenyl]-15-(2-propoxyphenyl)-20-[2-[2-(trimethylazaniumyl)ethoxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]ethyl]azanium;2-[10,15,20-tris(2-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol;octabromide.
What is the SMILES notation for 5,10-bis(2-methoxyphenyl)-15,20-bis(2-methylphenyl)-21,23-dihydroporphyrin;carbanide;cobalt(3+);1,2-dibromoethane;dichloromethane;N,N-dimethylmethanamine;ethane;methane;2-methoxybenzaldehyde;oxolane;1H-pyrrole;5,10,15,20-tetrakis[2-(2-bromoethoxy)phenyl]-21,23-dihydroporphyrin;tribromoborane;trimethyl-[2-[2-[15-[2-[2-(methylamino)ethoxy]phenyl]-20-(2-propoxyphenyl)-10-[2-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl]azanium;trimethyl-[2-[2-[10-[2-[2-(methylamino)ethoxy]phenyl]-15-(2-propoxyphenyl)-20-[2-[2-(trimethylazaniumyl)ethoxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]ethyl]azanium;2-[10,15,20-tris(2-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol;octabromide?
The canonical SMILES for 5,10-bis(2-methoxyphenyl)-15,20-bis(2-methylphenyl)-21,23-dihydroporphyrin;carbanide;cobalt(3+);1,2-dibromoethane;dichloromethane;N,N-dimethylmethanamine;ethane;methane;2-methoxybenzaldehyde;oxolane;1H-pyrrole;5,10,15,20-tetrakis[2-(2-bromoethoxy)phenyl]-21,23-dihydroporphyrin;tribromoborane;trimethyl-[2-[2-[15-[2-[2-(methylamino)ethoxy]phenyl]-20-(2-propoxyphenyl)-10-[2-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl]azanium;trimethyl-[2-[2-[10-[2-[2-(methylamino)ethoxy]phenyl]-15-(2-propoxyphenyl)-20-[2-[2-(trimethylazaniumyl)ethoxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]ethyl]azanium;2-[10,15,20-tris(2-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol;octabromide is BrB(Br)Br.BrCCBr.BrCCOc1ccccc1-c1c2nc(c(-c3ccccc3OCCBr)c3ccc([nH]3)c(-c3ccccc3OCCBr)c3nc(c(-c4ccccc4OCCBr)c4ccc1[nH]4)C=C3)C=C2.C.C1CCOC1.CC.CC.CCCOc1ccccc1-c1c2nc(c(-c3ccccc3OCCNC)c3ccc([n-]3)c(-c3ccccc3OCC[N+](C)(C)C)c3nc(c(-c4ccccc4OCC[N+](C)(C)C)c4ccc1[n-]4)C=C3)C=C2.CCCOc1ccccc1-c1c2nc(c(-c3ccccc3OCCNC)c3ccc([nH]3)c(-c3ccccc3OCC[N+](C)(C)C)c3nc(c(-c4ccccc4OCC[N+](C)(C)C)c4ccc1[nH]4)C=C3)C=C2.CN(C)C.COc1ccccc1-c1c2nc(c(-c3ccccc3OC)c3ccc([nH]3)c(-c3ccccc3C)c3nc(c(-c4ccccc4C)c4ccc1[nH]4)C=C3)C=C2.COc1ccccc1C=O.ClCCl.Oc1ccccc1-c1c2nc(c(-c3ccccc3O)c3ccc([nH]3)c(-c3ccccc3O)c3nc(c(-c4ccccc4O)c4ccc1[nH]4)C=C3)C=C2.[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[CH3-].[Co+3].c1cc[nH]c1.
What is the InChIKey of 5,10-bis(2-methoxyphenyl)-15,20-bis(2-methylphenyl)-21,23-dihydroporphyrin;carbanide;cobalt(3+);1,2-dibromoethane;dichloromethane;N,N-dimethylmethanamine;ethane;methane;2-methoxybenzaldehyde;oxolane;1H-pyrrole;5,10,15,20-tetrakis[2-(2-bromoethoxy)phenyl]-21,23-dihydroporphyrin;tribromoborane;trimethyl-[2-[2-[15-[2-[2-(methylamino)ethoxy]phenyl]-20-(2-propoxyphenyl)-10-[2-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl]azanium;trimethyl-[2-[2-[10-[2-[2-(methylamino)ethoxy]phenyl]-15-(2-propoxyphenyl)-20-[2-[2-(trimethylazaniumyl)ethoxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]ethyl]azanium;2-[10,15,20-tris(2-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol;octabromide?
The InChIKey is POPFVFQKWKQFDD-IGXHULPJSA-F. The full InChI is InChI=1S/C60H67N7O4.C60H65N7O4.C52H42Br4N4O4.C48H38N4O2.C44H30N4O4.C8H8O2.C4H5N.C4H8O.C3H9N.C2H4Br2.2C2H6.CH2Cl2.CH4.CH3.BBr3.8BrH.Co/c2*1-9-37-68-53-22-14-10-18-41(53)57-45-26-28-47(62-45)58(42-19-11-15-23-54(42)69-38-34-61-2)48-29-31-50(64-48)60(44-21-13-17-25-56(44)71-40-36-67(6,7)8)52-33-32-51(65-52)59(49-30-27-46(57)63-49)43-20-12-16-24-55(43)70-39-35-66(3,4)5;53-25-29-61-45-13-5-1-9-33(45)49-37-17-19-39(57-37)50(34-10-2-6-14-46(34)62-30-26-54)41-21-23-43(59-41)52(36-12-4-8-16-48(36)64-32-28-56)44-24-22-42(60-44)51(40-20-18-38(49)58-40)35-11-3-7-15-47(35)63-31-27-55;1-29-13-5-7-15-31(29)45-35-21-22-36(49-35)46(32-16-8-6-14-30(32)2)38-24-26-40(51-38)48(34-18-10-12-20-44(34)54-4)42-28-27-41(52-42)47(39-25-23-37(45)50-39)33-17-9-11-19-43(33)53-3;49-37-13-5-1-9-25(37)41-29-17-19-31(45-29)42(26-10-2-6-14-38(26)50)33-21-23-35(47-33)44(28-12-4-8-16-40(28)52)36-24-22-34(48-36)43(32-20-18-30(41)46-32)27-11-3-7-15-39(27)51;1-10-8-5-3-2-4-7(8)6-9;2*1-2-4-5-3-1;1-4(2)3;3-1-2-4;2*1-2;2-1-3;;;2-1(3)4;;;;;;;;;/h10-33,61,63-64H,9,34-40H2,1-8H3;10-33,61H,9,34-40H2,1-8H3;1-24,57,60H,25-32H2;5-28,50-51H,1-4H3;1-24,45,48-52H;2-6H,1H3;1-5H;1-4H2;1-3H3;1-2H2;2*1-2H3;1H2;1H4;1H3;;8*1H;/q+2;;;;;;;;;;;;;;-1;;;;;;;;;;+3/p-8/b2*57-45-,57-46-,58-47-,58-48-,59-49-,59-51-,60-50-,60-52-;49-37-,49-38-,50-39-,50-41-,51-40-,51-42-,52-43-,52-44-;45-35-,45-37-,46-36-,46-38-,47-39-,47-41-,48-40-,48-42-;41-29-,41-30-,42-31-,42-33-,43-32-,43-34-,44-35-,44-36-;;;;;;;;;;;;;;;;;;;;.
What are the key properties of 5,10-bis(2-methoxyphenyl)-15,20-bis(2-methylphenyl)-21,23-dihydroporphyrin;carbanide;cobalt(3+);1,2-dibromoethane;dichloromethane;N,N-dimethylmethanamine;ethane;methane;2-methoxybenzaldehyde;oxolane;1H-pyrrole;5,10,15,20-tetrakis[2-(2-bromoethoxy)phenyl]-21,23-dihydroporphyrin;tribromoborane;trimethyl-[2-[2-[15-[2-[2-(methylamino)ethoxy]phenyl]-20-(2-propoxyphenyl)-10-[2-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl]azanium;trimethyl-[2-[2-[10-[2-[2-(methylamino)ethoxy]phenyl]-15-(2-propoxyphenyl)-20-[2-[2-(trimethylazaniumyl)ethoxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]ethyl]azanium;2-[10,15,20-tris(2-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol;octabromide?
5,10-bis(2-methoxyphenyl)-15,20-bis(2-methylphenyl)-21,23-dihydroporphyrin;carbanide;cobalt(3+);1,2-dibromoethane;dichloromethane;N,N-dimethylmethanamine;ethane;methane;2-methoxybenzaldehyde;oxolane;1H-pyrrole;5,10,15,20-tetrakis[2-(2-bromoethoxy)phenyl]-21,23-dihydroporphyrin;tribromoborane;trimethyl-[2-[2-[15-[2-[2-(methylamino)ethoxy]phenyl]-20-(2-propoxyphenyl)-10-[2-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl]azanium;trimethyl-[2-[2-[10-[2-[2-(methylamino)ethoxy]phenyl]-15-(2-propoxyphenyl)-20-[2-[2-(trimethylazaniumyl)ethoxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]ethyl]azanium;2-[10,15,20-tris(2-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol;octabromide has a molecular weight of 6033.78 g/mol, XLogP of 47.56, 67 rotatable bonds, 15 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-bis(2-methoxyphenyl)-15,20-bis(2-methylphenyl)-21,23-dihydroporphyrin;carbanide;cobalt(3+);1,2-dibromoethane;dichloromethane;N,N-dimethylmethanamine;ethane;methane;2-methoxybenzaldehyde;oxolane;1H-pyrrole;5,10,15,20-tetrakis[2-(2-bromoethoxy)phenyl]-21,23-dihydroporphyrin;tribromoborane;trimethyl-[2-[2-[15-[2-[2-(methylamino)ethoxy]phenyl]-20-(2-propoxyphenyl)-10-[2-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl]azanium;trimethyl-[2-[2-[10-[2-[2-(methylamino)ethoxy]phenyl]-15-(2-propoxyphenyl)-20-[2-[2-(trimethylazaniumyl)ethoxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]ethyl]azanium;2-[10,15,20-tris(2-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol;octabromide is sourced from PubChem (CID 159605158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).