copper;2,3,5,10,12,13,15,20-octakis-phenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;1,1,2,2-tetrachloroethane

C70H46Cl4CuN4 — CID 139074335

IUPACcopper;2,3,5,10,12,13,15,20-octakis-phenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;1,1,2,2-tetrachloroethane
SMILESClC(Cl)C(Cl)Cl.[Cu].c1ccc(-c2c3[n-]c(c2-c2ccccc2)[C+](c2ccccc2)c2ccc([n-]2)[C+](c2ccccc2)c2[n-]c(c(-c4ccccc4)c2-c2ccccc2)[C+](c2ccccc2)c2ccc([n-]2)[C+]3c2ccccc2)cc1
InChIInChI=1S/C68H44N4.C2H2Cl4.Cu/c1-9-25-45(26-10-1)57-53-41-42-54(69-53)58(46-27-11-2-12-28-46)67-63(51-37-21-7-22-38-51)64(52-39-23-8-24-40-52)68(72-67)60(48-31-15-4-16-32-48)56-44-43-55(70-56)59(47-29-13-3-14-30-47)66-62(50-35-19-6-20-36-50)61(65(57)71-66)49-33-17-5-18-34-49;3-1(4)2(5)6;/h1-44H;1-2H;
InChIKeyJZJOPRXANMYKNQ-UHFFFAOYSA-N
MW1148.52 g/mol
LogP17.16
Rot. Bonds9

About copper;2,3,5,10,12,13,15,20-octakis-phenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;1,1,2,2-tetrachloroethane

copper;2,3,5,10,12,13,15,20-octakis-phenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;1,1,2,2-tetrachloroethane (PubChem CID 139074335) has the molecular formula C70H46Cl4CuN4 and a molecular weight of 1148.52 g/mol. Its IUPAC name is copper;2,3,5,10,12,13,15,20-octakis-phenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;1,1,2,2-tetrachloroethane.

Molecular Properties

Compound Namecopper;2,3,5,10,12,13,15,20-octakis-phenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;1,1,2,2-tetrachloroethane
PubChem CID139074335
Molecular FormulaC70H46Cl4CuN4
Molecular Weight1148.52 g/mol
Exact Mass1145.18
IUPAC Namecopper;2,3,5,10,12,13,15,20-octakis-phenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;1,1,2,2-tetrachloroethane
SMILESClC(Cl)C(Cl)Cl.[Cu].c1ccc(-c2c3[n-]c(c2-c2ccccc2)[C+](c2ccccc2)c2ccc([n-]2)[C+](c2ccccc2)c2[n-]c(c(-c4ccccc4)c2-c2ccccc2)[C+](c2ccccc2)c2ccc([n-]2)[C+]3c2ccccc2)cc1
InChIInChI=1S/C68H44N4.C2H2Cl4.Cu/c1-9-25-45(26-10-1)57-53-41-42-54(69-53)58(46-27-11-2-12-28-46)67-63(51-37-21-7-22-38-51)64(52-39-23-8-24-40-52)68(72-67)60(48-31-15-4-16-32-48)56-44-43-55(70-56)59(47-29-13-3-14-30-47)66-62(50-35-19-6-20-36-50)61(65(57)71-66)49-33-17-5-18-34-49;3-1(4)2(5)6;/h1-44H;1-2H;
InChIKeyJZJOPRXANMYKNQ-UHFFFAOYSA-N
XLogP17.16
TPSA56.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001148.52
LogP ≤ 517.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze copper;2,3,5,10,12,13,15,20-octakis-phenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;1,1,2,2-tetrachloroethane with MolForge

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Related Compounds

Cobalt;2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetrakis[4-(trifluoromethyl)phenyl]porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide
CID 139142125
Dizinc;5,10,15-tris(3,5-ditert-butylphenyl)-20-[1-phenyl-5-[10,15,20-tris(3,5-ditert-butylphenyl)porphyrin-15,20-diylium-21,22,23,24-tetraid-5-yl]pyrrol-2-yl]porphyrin-10,15-diylium-21,22,23,24-tetraide
CID 139037698
Copper;5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide
CID 139040016
Vanadyl mesopentafluorophenylporphyrine
CID 139056325
[tetrakis(4-iodophenyl)porphyrinato]zinc(II)
CID 139060176
Nitrobenzene;5,10,15,20-tetrakis(4-chlorophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;ZINC
CID 139066023
Bis(acetonitrile);2,3,5,7,8,10,12,13,15,17,18,20-dodecakis-phenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;ZINC
CID 139066839
(dimethylformamide)(tetraphenylporphyrinato)zinc(II)
CID 139068876
(Dimethylacetamide)(tetraphenylporphyrinato)zinc(II)
CID 139070307
(Nitrato-kappaO)oxido(tetraphenylporphyrinato-kappa^4^N)molybdenum(V) benzene solvate
CID 139075358
meso-[5,10,15,20-Tetrakis(4-cyanophenyl)porphyrinato]zinc
CID 139080870
(5,10,15,20-tetraphenylporphyrinato-kappa^4^N)zinc (18-crown-6)
CID 139085855

Frequently Asked Questions

What is the IUPAC name of copper;2,3,5,10,12,13,15,20-octakis-phenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;1,1,2,2-tetrachloroethane?
The IUPAC name of copper;2,3,5,10,12,13,15,20-octakis-phenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;1,1,2,2-tetrachloroethane (CID 139074335) is copper;2,3,5,10,12,13,15,20-octakis-phenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;1,1,2,2-tetrachloroethane.
What is the SMILES notation for copper;2,3,5,10,12,13,15,20-octakis-phenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;1,1,2,2-tetrachloroethane?
The canonical SMILES for copper;2,3,5,10,12,13,15,20-octakis-phenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;1,1,2,2-tetrachloroethane is ClC(Cl)C(Cl)Cl.[Cu].c1ccc(-c2c3[n-]c(c2-c2ccccc2)[C+](c2ccccc2)c2ccc([n-]2)[C+](c2ccccc2)c2[n-]c(c(-c4ccccc4)c2-c2ccccc2)[C+](c2ccccc2)c2ccc([n-]2)[C+]3c2ccccc2)cc1.
What is the InChIKey of copper;2,3,5,10,12,13,15,20-octakis-phenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;1,1,2,2-tetrachloroethane?
The InChIKey is JZJOPRXANMYKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H44N4.C2H2Cl4.Cu/c1-9-25-45(26-10-1)57-53-41-42-54(69-53)58(46-27-11-2-12-28-46)67-63(51-37-21-7-22-38-51)64(52-39-23-8-24-40-52)68(72-67)60(48-31-15-4-16-32-48)56-44-43-55(70-56)59(47-29-13-3-14-30-47)66-62(50-35-19-6-20-36-50)61(65(57)71-66)49-33-17-5-18-34-49;3-1(4)2(5)6;/h1-44H;1-2H;.
What are the key properties of copper;2,3,5,10,12,13,15,20-octakis-phenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;1,1,2,2-tetrachloroethane?
copper;2,3,5,10,12,13,15,20-octakis-phenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;1,1,2,2-tetrachloroethane has a molecular weight of 1148.52 g/mol, XLogP of 17.16, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2,3,5,10,12,13,15,20-octakis-phenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;1,1,2,2-tetrachloroethane is sourced from PubChem (CID 139074335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).