tricopper;dizinc;5-[9,9-dimethyl-5-(2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrin-22,24-diid-5-yl)xanthen-4-yl]-2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrin-22,24-diide;2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-5-[8-(2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-21,23-dihydroporphyrin-5-yl)anthracen-1-yl]porphyrin-22,24-diide;2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-5-[6-(2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrin-22,24-diid-5-yl)dibenzothiophen-4-yl]porphyrin-22,24-diide

C233H238Cu3N24OSZn2 — CID 162247241

IUPACtricopper;dizinc;5-[9,9-dimethyl-5-(2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrin-22,24-diid-5-yl)xanthen-4-yl]-2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrin-22,24-diide;2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-5-[8-(2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-21,23-dihydroporphyrin-5-yl)anthracen-1-yl]porphyrin-22,24-diide;2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-5-[6-(2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrin-22,24-diid-5-yl)dibenzothiophen-4-yl]porphyrin-22,24-diide
SMILESCCC1=C(C)c2cc3[n-]c(c(C)c3CC)c(-c3cccc4c3Oc3c(-c5c6nc(cc7[n-]c(cc8nc(cc9[n-]c5c(C)c9CC)C(C)=C8CC)c(CC)c7C)C(CC)=C6C)cccc3C4(C)C)c3nc(cc4[n-]c(cc1n2)c(CC)c4C)C(CC)=C3C.CCC1=C(C)c2cc3[n-]c(c(C)c3CC)c(-c3cccc4c3sc3c(-c5c6nc(cc7[n-]c(cc8nc(cc9[n-]c5c(C)c9CC)C(C)=C8CC)c(CC)c7C)C(CC)=C6C)cccc34)c3nc(cc4[n-]c(cc1n2)c(CC)c4C)C(CC)=C3C.CCC1=C(C)c2cc3[n-]c(c(C)c3CC)c(-c3cccc4cc5cccc(-c6c7nc(cc8[nH]c(cc9nc(cc%10[nH]c6c(C)c%10CC)C(C)=C9CC)c(CC)c8C)C(CC)=C7C)c5cc34)c3nc(cc4[n-]c(cc1n2)c(CC)c4C)C(CC)=C3C.[Cu+2].[Cu+2].[Cu+2].[Zn+2].[Zn+2]
InChIInChI=1S/C79H82N8O.C78H80N8.C76H76N8S.3Cu.2Zn/c1-19-47-39(9)59-33-67-51(23-5)43(13)73(84-67)71(74-44(14)52(24-6)68(85-74)34-60-40(10)48(20-2)64(81-60)37-63(47)80-59)55-29-27-31-57-77(55)88-78-56(30-28-32-58(78)79(57,17)18)72-75-45(15)53(25-7)69(86-75)35-61-41(11)49(21-3)65(82-61)38-66-50(22-4)42(12)62(83-66)36-70-54(26-8)46(16)76(72)87-70;1-17-49-39(9)61-33-69-53(21-5)43(13)75(83-69)73(76-44(14)54(22-6)70(84-76)34-62-40(10)50(18-2)66(80-62)37-65(49)79-61)57-29-25-27-47-31-48-28-26-30-58(60(48)32-59(47)57)74-77-45(15)55(23-7)71(85-77)35-63-41(11)51(19-3)67(81-63)38-68-52(20-4)42(12)64(82-68)36-72-56(24-8)46(16)78(74)86-72;1-17-45-37(9)57-31-65-49(21-5)41(13)71(81-65)69(72-42(14)50(22-6)66(82-72)32-58-38(10)46(18-2)62(78-58)35-61(45)77-57)55-29-25-27-53-54-28-26-30-56(76(54)85-75(53)55)70-73-43(15)51(23-7)67(83-73)33-59-39(11)47(19-3)63(79-59)36-64-48(20-4)40(12)60(80-64)34-68-52(24-8)44(16)74(70)84-68;;;;;/h27-38H,19-26H2,1-18H3;25-38,79,84H,17-24H2,1-16H3;25-36H,17-24H2,1-16H3;;;;;/q-4;-2;-4;5*+2/b59-33-,60-34-,61-35-,62-36-,63-37-,64-37-,65-38-,66-38-,67-33-,68-34-,69-35-,70-36-,73-71-,74-71-,75-72-,76-72-;61-33-,62-34-,63-35-,64-36-,65-37-,66-37-,67-38-,68-38-,69-33-,70-34-,71-35-,72-36-,75-73-,76-73-,77-74-,78-74-;57-31-,58-32-,59-33-,60-34-,61-35-,62-35-,63-36-,64-36-,65-31-,66-32-,67-33-,68-34-,71-69-,72-69-,73-70-,74-70-;;;;;
InChIKeyZXMRKFVKOVSULJ-JLCMBNSRSA-N
MW3744.12 g/mol
LogP60.75
Rot. Bonds30

About tricopper;dizinc;5-[9,9-dimethyl-5-(2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrin-22,24-diid-5-yl)xanthen-4-yl]-2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrin-22,24-diide;2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-5-[8-(2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-21,23-dihydroporphyrin-5-yl)anthracen-1-yl]porphyrin-22,24-diide;2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-5-[6-(2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrin-22,24-diid-5-yl)dibenzothiophen-4-yl]porphyrin-22,24-diide

tricopper;dizinc;5-[9,9-dimethyl-5-(2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrin-22,24-diid-5-yl)xanthen-4-yl]-2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrin-22,24-diide;2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-5-[8-(2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-21,23-dihydroporphyrin-5-yl)anthracen-1-yl]porphyrin-22,24-diide;2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-5-[6-(2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrin-22,24-diid-5-yl)dibenzothiophen-4-yl]porphyrin-22,24-diide (PubChem CID 162247241) has the molecular formula C233H238Cu3N24OSZn2 and a molecular weight of 3744.12 g/mol. Its IUPAC name is tricopper;dizinc;5-[9,9-dimethyl-5-(2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrin-22,24-diid-5-yl)xanthen-4-yl]-2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrin-22,24-diide;2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-5-[8-(2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-21,23-dihydroporphyrin-5-yl)anthracen-1-yl]porphyrin-22,24-diide;2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-5-[6-(2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrin-22,24-diid-5-yl)dibenzothiophen-4-yl]porphyrin-22,24-diide.

Molecular Properties

Compound Nametricopper;dizinc;5-[9,9-dimethyl-5-(2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrin-22,24-diid-5-yl)xanthen-4-yl]-2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrin-22,24-diide;2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-5-[8-(2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-21,23-dihydroporphyrin-5-yl)anthracen-1-yl]porphyrin-22,24-diide;2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-5-[6-(2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrin-22,24-diid-5-yl)dibenzothiophen-4-yl]porphyrin-22,24-diide
PubChem CID162247241
Molecular FormulaC233H238Cu3N24OSZn2
Molecular Weight3744.12 g/mol
Exact Mass3736.55
IUPAC Nametricopper;dizinc;5-[9,9-dimethyl-5-(2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrin-22,24-diid-5-yl)xanthen-4-yl]-2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrin-22,24-diide;2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-5-[8-(2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-21,23-dihydroporphyrin-5-yl)anthracen-1-yl]porphyrin-22,24-diide;2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-5-[6-(2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrin-22,24-diid-5-yl)dibenzothiophen-4-yl]porphyrin-22,24-diide
SMILESCCC1=C(C)c2cc3[n-]c(c(C)c3CC)c(-c3cccc4c3Oc3c(-c5c6nc(cc7[n-]c(cc8nc(cc9[n-]c5c(C)c9CC)C(C)=C8CC)c(CC)c7C)C(CC)=C6C)cccc3C4(C)C)c3nc(cc4[n-]c(cc1n2)c(CC)c4C)C(CC)=C3C.CCC1=C(C)c2cc3[n-]c(c(C)c3CC)c(-c3cccc4c3sc3c(-c5c6nc(cc7[n-]c(cc8nc(cc9[n-]c5c(C)c9CC)C(C)=C8CC)c(CC)c7C)C(CC)=C6C)cccc34)c3nc(cc4[n-]c(cc1n2)c(CC)c4C)C(CC)=C3C.CCC1=C(C)c2cc3[n-]c(c(C)c3CC)c(-c3cccc4cc5cccc(-c6c7nc(cc8[nH]c(cc9nc(cc%10[nH]c6c(C)c%10CC)C(C)=C9CC)c(CC)c8C)C(CC)=C7C)c5cc34)c3nc(cc4[n-]c(cc1n2)c(CC)c4C)C(CC)=C3C.[Cu+2].[Cu+2].[Cu+2].[Zn+2].[Zn+2]
InChIInChI=1S/C79H82N8O.C78H80N8.C76H76N8S.3Cu.2Zn/c1-19-47-39(9)59-33-67-51(23-5)43(13)73(84-67)71(74-44(14)52(24-6)68(85-74)34-60-40(10)48(20-2)64(81-60)37-63(47)80-59)55-29-27-31-57-77(55)88-78-56(30-28-32-58(78)79(57,17)18)72-75-45(15)53(25-7)69(86-75)35-61-41(11)49(21-3)65(82-61)38-66-50(22-4)42(12)62(83-66)36-70-54(26-8)46(16)76(72)87-70;1-17-49-39(9)61-33-69-53(21-5)43(13)75(83-69)73(76-44(14)54(22-6)70(84-76)34-62-40(10)50(18-2)66(80-62)37-65(49)79-61)57-29-25-27-47-31-48-28-26-30-58(60(48)32-59(47)57)74-77-45(15)55(23-7)71(85-77)35-63-41(11)51(19-3)67(81-63)38-68-52(20-4)42(12)64(82-68)36-72-56(24-8)46(16)78(74)86-72;1-17-45-37(9)57-31-65-49(21-5)41(13)71(81-65)69(72-42(14)50(22-6)66(82-72)32-58-38(10)46(18-2)62(78-58)35-61(45)77-57)55-29-25-27-53-54-28-26-30-56(76(54)85-75(53)55)70-73-43(15)51(23-7)67(83-73)33-59-39(11)47(19-3)63(79-59)36-64-48(20-4)40(12)60(80-64)34-68-52(24-8)44(16)74(70)84-68;;;;;/h27-38H,19-26H2,1-18H3;25-38,79,84H,17-24H2,1-16H3;25-36H,17-24H2,1-16H3;;;;;/q-4;-2;-4;5*+2/b59-33-,60-34-,61-35-,62-36-,63-37-,64-37-,65-38-,66-38-,67-33-,68-34-,69-35-,70-36-,73-71-,74-71-,75-72-,76-72-;61-33-,62-34-,63-35-,64-36-,65-37-,66-37-,67-38-,68-38-,69-33-,70-34-,71-35-,72-36-,75-73-,76-73-,77-74-,78-74-;57-31-,58-32-,59-33-,60-34-,61-35-,62-35-,63-36-,64-36-,65-31-,66-32-,67-33-,68-34-,71-69-,72-69-,73-70-,74-70-;;;;;
InChIKeyZXMRKFVKOVSULJ-JLCMBNSRSA-N
XLogP60.75
TPSA336.49 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds30
Heavy Atoms264
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003744.12
LogP ≤ 560.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze tricopper;dizinc;5-[9,9-dimethyl-5-(2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrin-22,24-diid-5-yl)xanthen-4-yl]-2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrin-22,24-diide;2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-5-[8-(2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-21,23-dihydroporphyrin-5-yl)anthracen-1-yl]porphyrin-22,24-diide;2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-5-[6-(2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrin-22,24-diid-5-yl)dibenzothiophen-4-yl]porphyrin-22,24-diide with MolForge

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Related Compounds

9,14,18,37,41,46-hexaethyl-8,13,19,25,27,30,36,42,47-nonamethyl-23,32,59,60,61,62,63,64-octazatetradecacyclo[52.3.1.17,10.112,15.117,20.135,38.140,43.145,48.05,57.06,24.022,26.029,33.031,49.050,55]tetrahexaconta-1(57),2,4,6(24),7,9,11,13,15(63),16,18,20,22,25,29(33),30,34,36,38(61),39,41,43,45(59),46,48,50,52,54(58),55-nonacosaene
CID 136634773
15-[[9,9-dimethyl-5-[(2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-23,24-dihydroporphyrin-5-yl)methyl]xanthen-4-yl]methyl]-3,7,12,18-tetraethyl-2,8,13,17-tetramethyl-21,22-dihydroporphyrin
CID 25082691
zinc 2-anthracen-9-yl-7,12,17-triethyl-3,8,13,18-tetramethylporphyrin-21,23-diide
CID 57375379
5,9,14,18-tetraethyl-4,10,13,19-tetramethyl-34,36,37,38,39-pentazanonacyclo[20.11.1.13,6.18,11.112,15.117,20.124,28.023,33.032,35]nonatriaconta-1(33),2,4,6(39),7,9,11,13,15,17(36),18,20,22,24,26,28(35),29,31-octadecaene
CID 136882036
copper 2,18-diethyl-3,7,8,12,13,17-hexamethylporphyrin-22,24-diide
CID 10625564
45,49,54,58-tetraethyl-44,50,53,59-tetramethyl-6,9,12,15,26,29,32,35-octaoxa-61,62,63,64-tetrazadecacyclo[40.9.9.22,5.143,46.148,51.152,55.157,60.016,21.020,25.036,41]hexahexaconta-1(51),2(66),3,5(65),16,18,20,22,24,36,38,40,42,44,46(64),47,49,52,54,56,58,60-docosaene
CID 11983119
40,46,49,55-tetraethyl-41,45,50,54-tetramethyl-8,11,14,25,28,31-hexaoxa-57,58,59,60-tetrazadecacyclo[36.9.9.139,42.144,47.148,51.153,56.02,7.015,20.019,24.032,37]hexaconta-1(47),2,4,6,15,17,19,21,23,32,34,36,38(56),39,41,43,45,48(58),49,51,53(57),54-docosaene
CID 11982674
2,8,12,18-tetraethyl-3,7,13,15,17-pentamethyl-21,22-dihydroporphyrin
CID 635582
2,3,7,13,17,18-hexaethyl-8,12-dimethyl-10-phenyl-22,24-dihydro-21H-corrin
CID 10650716
47,51,56,60-tetraethyl-46,52,55,61-tetramethyl-8,11,14,17,20,25,28,31,34,37-decaoxa-63,64,65,66-tetrazanonacyclo[42.9.9.221,24.145,48.150,53.154,57.159,62.02,7.038,43]octahexaconta-1(54),2,4,6,21(68),22,24(67),38,40,42,44(62),45(66),46,48,50,52,55,57,59(63),60-icosaene
CID 11205561
2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-23,24-dihydro-21H-porphyrin-5-imine
CID 136851358
4,16-diethyl-5,15-dimethyl-31,33,35-triazaoctacyclo[17.11.1.13,6.18,12.114,17.121,25.020,30.029,32]pentatriaconta-1(30),2,4,6(35),7,10,12(34),13,15,17,19,21,23,25(32),26,28-hexadecaen-9-one
CID 10626387

Frequently Asked Questions

What is the IUPAC name of tricopper;dizinc;5-[9,9-dimethyl-5-(2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrin-22,24-diid-5-yl)xanthen-4-yl]-2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrin-22,24-diide;2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-5-[8-(2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-21,23-dihydroporphyrin-5-yl)anthracen-1-yl]porphyrin-22,24-diide;2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-5-[6-(2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrin-22,24-diid-5-yl)dibenzothiophen-4-yl]porphyrin-22,24-diide?
The IUPAC name of tricopper;dizinc;5-[9,9-dimethyl-5-(2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrin-22,24-diid-5-yl)xanthen-4-yl]-2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrin-22,24-diide;2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-5-[8-(2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-21,23-dihydroporphyrin-5-yl)anthracen-1-yl]porphyrin-22,24-diide;2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-5-[6-(2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrin-22,24-diid-5-yl)dibenzothiophen-4-yl]porphyrin-22,24-diide (CID 162247241) is tricopper;dizinc;5-[9,9-dimethyl-5-(2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrin-22,24-diid-5-yl)xanthen-4-yl]-2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrin-22,24-diide;2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-5-[8-(2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-21,23-dihydroporphyrin-5-yl)anthracen-1-yl]porphyrin-22,24-diide;2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-5-[6-(2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrin-22,24-diid-5-yl)dibenzothiophen-4-yl]porphyrin-22,24-diide.
What is the SMILES notation for tricopper;dizinc;5-[9,9-dimethyl-5-(2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrin-22,24-diid-5-yl)xanthen-4-yl]-2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrin-22,24-diide;2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-5-[8-(2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-21,23-dihydroporphyrin-5-yl)anthracen-1-yl]porphyrin-22,24-diide;2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-5-[6-(2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrin-22,24-diid-5-yl)dibenzothiophen-4-yl]porphyrin-22,24-diide?
The canonical SMILES for tricopper;dizinc;5-[9,9-dimethyl-5-(2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrin-22,24-diid-5-yl)xanthen-4-yl]-2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrin-22,24-diide;2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-5-[8-(2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-21,23-dihydroporphyrin-5-yl)anthracen-1-yl]porphyrin-22,24-diide;2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-5-[6-(2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrin-22,24-diid-5-yl)dibenzothiophen-4-yl]porphyrin-22,24-diide is CCC1=C(C)c2cc3[n-]c(c(C)c3CC)c(-c3cccc4c3Oc3c(-c5c6nc(cc7[n-]c(cc8nc(cc9[n-]c5c(C)c9CC)C(C)=C8CC)c(CC)c7C)C(CC)=C6C)cccc3C4(C)C)c3nc(cc4[n-]c(cc1n2)c(CC)c4C)C(CC)=C3C.CCC1=C(C)c2cc3[n-]c(c(C)c3CC)c(-c3cccc4c3sc3c(-c5c6nc(cc7[n-]c(cc8nc(cc9[n-]c5c(C)c9CC)C(C)=C8CC)c(CC)c7C)C(CC)=C6C)cccc34)c3nc(cc4[n-]c(cc1n2)c(CC)c4C)C(CC)=C3C.CCC1=C(C)c2cc3[n-]c(c(C)c3CC)c(-c3cccc4cc5cccc(-c6c7nc(cc8[nH]c(cc9nc(cc%10[nH]c6c(C)c%10CC)C(C)=C9CC)c(CC)c8C)C(CC)=C7C)c5cc34)c3nc(cc4[n-]c(cc1n2)c(CC)c4C)C(CC)=C3C.[Cu+2].[Cu+2].[Cu+2].[Zn+2].[Zn+2].
What is the InChIKey of tricopper;dizinc;5-[9,9-dimethyl-5-(2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrin-22,24-diid-5-yl)xanthen-4-yl]-2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrin-22,24-diide;2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-5-[8-(2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-21,23-dihydroporphyrin-5-yl)anthracen-1-yl]porphyrin-22,24-diide;2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-5-[6-(2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrin-22,24-diid-5-yl)dibenzothiophen-4-yl]porphyrin-22,24-diide?
The InChIKey is ZXMRKFVKOVSULJ-JLCMBNSRSA-N. The full InChI is InChI=1S/C79H82N8O.C78H80N8.C76H76N8S.3Cu.2Zn/c1-19-47-39(9)59-33-67-51(23-5)43(13)73(84-67)71(74-44(14)52(24-6)68(85-74)34-60-40(10)48(20-2)64(81-60)37-63(47)80-59)55-29-27-31-57-77(55)88-78-56(30-28-32-58(78)79(57,17)18)72-75-45(15)53(25-7)69(86-75)35-61-41(11)49(21-3)65(82-61)38-66-50(22-4)42(12)62(83-66)36-70-54(26-8)46(16)76(72)87-70;1-17-49-39(9)61-33-69-53(21-5)43(13)75(83-69)73(76-44(14)54(22-6)70(84-76)34-62-40(10)50(18-2)66(80-62)37-65(49)79-61)57-29-25-27-47-31-48-28-26-30-58(60(48)32-59(47)57)74-77-45(15)55(23-7)71(85-77)35-63-41(11)51(19-3)67(81-63)38-68-52(20-4)42(12)64(82-68)36-72-56(24-8)46(16)78(74)86-72;1-17-45-37(9)57-31-65-49(21-5)41(13)71(81-65)69(72-42(14)50(22-6)66(82-72)32-58-38(10)46(18-2)62(78-58)35-61(45)77-57)55-29-25-27-53-54-28-26-30-56(76(54)85-75(53)55)70-73-43(15)51(23-7)67(83-73)33-59-39(11)47(19-3)63(79-59)36-64-48(20-4)40(12)60(80-64)34-68-52(24-8)44(16)74(70)84-68;;;;;/h27-38H,19-26H2,1-18H3;25-38,79,84H,17-24H2,1-16H3;25-36H,17-24H2,1-16H3;;;;;/q-4;-2;-4;5*+2/b59-33-,60-34-,61-35-,62-36-,63-37-,64-37-,65-38-,66-38-,67-33-,68-34-,69-35-,70-36-,73-71-,74-71-,75-72-,76-72-;61-33-,62-34-,63-35-,64-36-,65-37-,66-37-,67-38-,68-38-,69-33-,70-34-,71-35-,72-36-,75-73-,76-73-,77-74-,78-74-;57-31-,58-32-,59-33-,60-34-,61-35-,62-35-,63-36-,64-36-,65-31-,66-32-,67-33-,68-34-,71-69-,72-69-,73-70-,74-70-;;;;;.
What are the key properties of tricopper;dizinc;5-[9,9-dimethyl-5-(2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrin-22,24-diid-5-yl)xanthen-4-yl]-2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrin-22,24-diide;2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-5-[8-(2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-21,23-dihydroporphyrin-5-yl)anthracen-1-yl]porphyrin-22,24-diide;2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-5-[6-(2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrin-22,24-diid-5-yl)dibenzothiophen-4-yl]porphyrin-22,24-diide?
tricopper;dizinc;5-[9,9-dimethyl-5-(2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrin-22,24-diid-5-yl)xanthen-4-yl]-2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrin-22,24-diide;2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-5-[8-(2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-21,23-dihydroporphyrin-5-yl)anthracen-1-yl]porphyrin-22,24-diide;2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-5-[6-(2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrin-22,24-diid-5-yl)dibenzothiophen-4-yl]porphyrin-22,24-diide has a molecular weight of 3744.12 g/mol, XLogP of 60.75, 30 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for tricopper;dizinc;5-[9,9-dimethyl-5-(2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrin-22,24-diid-5-yl)xanthen-4-yl]-2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrin-22,24-diide;2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-5-[8-(2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-21,23-dihydroporphyrin-5-yl)anthracen-1-yl]porphyrin-22,24-diide;2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-5-[6-(2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrin-22,24-diid-5-yl)dibenzothiophen-4-yl]porphyrin-22,24-diide is sourced from PubChem (CID 162247241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).