dicopper;2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-5-[2-(2,7,12,17-tetraethyl-3,8,13,18-tetramethylporphyrin-21,23-diid-5-yl)ethyl]porphyrin-21,23-diide

C66H74Cu2N8 — CID 10855214

IUPACdicopper;2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-5-[2-(2,7,12,17-tetraethyl-3,8,13,18-tetramethylporphyrin-21,23-diid-5-yl)ethyl]porphyrin-21,23-diide
SMILESCCC1=C(C)c2cc3[n-]c(c(C)c3CC)c(CCc3c4nc(cc5[n-]c(cc6nc(cc7[n-]c3c(C)c7CC)C(C)=C6CC)c(C)c5CC)C(C)=C4CC)c3nc(cc4[n-]c(cc1n2)c(C)c4CC)C(C)=C3CC.[Cu+2].[Cu+2]
InChIInChI=1S/C66H74N8.2Cu/c1-17-41-35(11)53-29-61-45(21-5)39(15)63(73-61)49(65-47(23-7)37(13)55(71-65)31-59-43(19-3)33(9)51(67-59)27-57(41)69-53)25-26-50-64-40(16)46(22-6)62(74-64)30-54-36(12)42(18-2)58(70-54)28-52-34(10)44(20-4)60(68-52)32-56-38(14)48(24-8)66(50)72-56;;/h27-32H,17-26H2,1-16H3;;/q-4;2*+2/b51-27-,52-28-,53-29-,54-30-,55-31-,56-32-,57-27-,58-28-,59-31-,60-32-,61-29-,62-30-,63-49-,64-50-,65-49-,66-50-;;
InChIKeyMBFQDLDYFSQIDF-IQFGDSLLSA-N
MW1106.47 g/mol
LogP16.09
Rot. Bonds11

About dicopper;2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-5-[2-(2,7,12,17-tetraethyl-3,8,13,18-tetramethylporphyrin-21,23-diid-5-yl)ethyl]porphyrin-21,23-diide

dicopper;2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-5-[2-(2,7,12,17-tetraethyl-3,8,13,18-tetramethylporphyrin-21,23-diid-5-yl)ethyl]porphyrin-21,23-diide (PubChem CID 10855214) has the molecular formula C66H74Cu2N8 and a molecular weight of 1106.47 g/mol. Its IUPAC name is dicopper;2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-5-[2-(2,7,12,17-tetraethyl-3,8,13,18-tetramethylporphyrin-21,23-diid-5-yl)ethyl]porphyrin-21,23-diide.

Molecular Properties

Compound Namedicopper;2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-5-[2-(2,7,12,17-tetraethyl-3,8,13,18-tetramethylporphyrin-21,23-diid-5-yl)ethyl]porphyrin-21,23-diide
PubChem CID10855214
Molecular FormulaC66H74Cu2N8
Molecular Weight1106.47 g/mol
Exact Mass1104.46
IUPAC Namedicopper;2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-5-[2-(2,7,12,17-tetraethyl-3,8,13,18-tetramethylporphyrin-21,23-diid-5-yl)ethyl]porphyrin-21,23-diide
SMILESCCC1=C(C)c2cc3[n-]c(c(C)c3CC)c(CCc3c4nc(cc5[n-]c(cc6nc(cc7[n-]c3c(C)c7CC)C(C)=C6CC)c(C)c5CC)C(C)=C4CC)c3nc(cc4[n-]c(cc1n2)c(C)c4CC)C(C)=C3CC.[Cu+2].[Cu+2]
InChIInChI=1S/C66H74N8.2Cu/c1-17-41-35(11)53-29-61-45(21-5)39(15)63(73-61)49(65-47(23-7)37(13)55(71-65)31-59-43(19-3)33(9)51(67-59)27-57(41)69-53)25-26-50-64-40(16)46(22-6)62(74-64)30-54-36(12)42(18-2)58(70-54)28-52-34(10)44(20-4)60(68-52)32-56-38(14)48(24-8)66(50)72-56;;/h27-32H,17-26H2,1-16H3;;/q-4;2*+2/b51-27-,52-28-,53-29-,54-30-,55-31-,56-32-,57-27-,58-28-,59-31-,60-32-,61-29-,62-30-,63-49-,64-50-,65-49-,66-50-;;
InChIKeyMBFQDLDYFSQIDF-IQFGDSLLSA-N
XLogP16.09
TPSA107.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001106.47
LogP ≤ 516.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze dicopper;2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-5-[2-(2,7,12,17-tetraethyl-3,8,13,18-tetramethylporphyrin-21,23-diid-5-yl)ethyl]porphyrin-21,23-diide with MolForge

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Related Compounds

copper 2,18-diethyl-3,7,8,12,13,17-hexamethylporphyrin-22,24-diide
CID 10625564
copper 2,8,13-triethyl-3,7,12,17-tetramethylporphyrin-22,24-diide
CID 134915764
zinc 3-[18-(2-carboxyethyl)-8,13-diethyl-3,7,12,15,17-pentamethylporphyrin-22,24-diid-2-yl]propanoic acid
CID 59972114
copper methyl 3-[7,12-diethyl-15-(hydroxymethyl)-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl]propanoate
CID 10259067
zinc 2,7-diethyl-3,8,12,18-tetramethyl-13,17-bis(3-methylbut-3-enyl)porphyrin-22,24-diide
CID 11039412
2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;platinum(4+)
CID 172547960
nickel(2+);4,10,14-triethyl-5,9,15-trimethyl-34,36-diaza-33,35-diazanidaoctacyclo[16.14.1.13,6.18,11.113,16.019,32.020,25.026,31]hexatriaconta-1(32),2,4,6(36),7,9,11,13(34),14,16,18,20,22,24,26,28,30-heptadecaene
CID 10817925
3-[18-(3-acetyloxypropyl)-7,12-diethyl-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl]propyl acetate;cobalt(2+)
CID 59921652
2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;platinum(2+)
CID 636283
zinc 2-anthracen-9-yl-7,12,17-triethyl-3,8,13,18-tetramethylporphyrin-21,23-diide
CID 57375379
copper 20-(carboxymethyl)-12-ethenyl-7-ethyl-3,8,13,17-tetramethyl-18-propylporphyrin-21,23-diide-2-carboxylic acid
CID 59884340
N,N-dimethyl-1-(2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diid-5-yl)methanamine;nickel(2+)
CID 11028678

Frequently Asked Questions

What is the IUPAC name of dicopper;2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-5-[2-(2,7,12,17-tetraethyl-3,8,13,18-tetramethylporphyrin-21,23-diid-5-yl)ethyl]porphyrin-21,23-diide?
The IUPAC name of dicopper;2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-5-[2-(2,7,12,17-tetraethyl-3,8,13,18-tetramethylporphyrin-21,23-diid-5-yl)ethyl]porphyrin-21,23-diide (CID 10855214) is dicopper;2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-5-[2-(2,7,12,17-tetraethyl-3,8,13,18-tetramethylporphyrin-21,23-diid-5-yl)ethyl]porphyrin-21,23-diide.
What is the SMILES notation for dicopper;2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-5-[2-(2,7,12,17-tetraethyl-3,8,13,18-tetramethylporphyrin-21,23-diid-5-yl)ethyl]porphyrin-21,23-diide?
The canonical SMILES for dicopper;2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-5-[2-(2,7,12,17-tetraethyl-3,8,13,18-tetramethylporphyrin-21,23-diid-5-yl)ethyl]porphyrin-21,23-diide is CCC1=C(C)c2cc3[n-]c(c(C)c3CC)c(CCc3c4nc(cc5[n-]c(cc6nc(cc7[n-]c3c(C)c7CC)C(C)=C6CC)c(C)c5CC)C(C)=C4CC)c3nc(cc4[n-]c(cc1n2)c(C)c4CC)C(C)=C3CC.[Cu+2].[Cu+2].
What is the InChIKey of dicopper;2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-5-[2-(2,7,12,17-tetraethyl-3,8,13,18-tetramethylporphyrin-21,23-diid-5-yl)ethyl]porphyrin-21,23-diide?
The InChIKey is MBFQDLDYFSQIDF-IQFGDSLLSA-N. The full InChI is InChI=1S/C66H74N8.2Cu/c1-17-41-35(11)53-29-61-45(21-5)39(15)63(73-61)49(65-47(23-7)37(13)55(71-65)31-59-43(19-3)33(9)51(67-59)27-57(41)69-53)25-26-50-64-40(16)46(22-6)62(74-64)30-54-36(12)42(18-2)58(70-54)28-52-34(10)44(20-4)60(68-52)32-56-38(14)48(24-8)66(50)72-56;;/h27-32H,17-26H2,1-16H3;;/q-4;2*+2/b51-27-,52-28-,53-29-,54-30-,55-31-,56-32-,57-27-,58-28-,59-31-,60-32-,61-29-,62-30-,63-49-,64-50-,65-49-,66-50-;;.
What are the key properties of dicopper;2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-5-[2-(2,7,12,17-tetraethyl-3,8,13,18-tetramethylporphyrin-21,23-diid-5-yl)ethyl]porphyrin-21,23-diide?
dicopper;2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-5-[2-(2,7,12,17-tetraethyl-3,8,13,18-tetramethylporphyrin-21,23-diid-5-yl)ethyl]porphyrin-21,23-diide has a molecular weight of 1106.47 g/mol, XLogP of 16.09, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-5-[2-(2,7,12,17-tetraethyl-3,8,13,18-tetramethylporphyrin-21,23-diid-5-yl)ethyl]porphyrin-21,23-diide is sourced from PubChem (CID 10855214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).