5,10,15,20-tetrakis(4-iodophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc

C44H24I4N4Zn — CID 139060176

IUPAC5,10,15,20-tetrakis(4-iodophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc
SMILESIc1ccc([C+]2c3ccc([n-]3)[C+](c3ccc(I)cc3)c3ccc([n-]3)[C+](c3ccc(I)cc3)c3ccc([n-]3)[C+](c3ccc(I)cc3)c3ccc2[n-]3)cc1.[Zn]
InChIInChI=1S/C44H24I4N4.Zn/c45-29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(46)12-4-26)37-21-23-39(51-37)44(28-7-15-32(48)16-8-28)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(47)14-6-27;/h1-24H;
InChIKeyHHRVCJLPQHKGGN-UHFFFAOYSA-N
MW1181.71 g/mol
LogP10.32
Rot. Bonds4

About 5,10,15,20-tetrakis(4-iodophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc

5,10,15,20-tetrakis(4-iodophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc (PubChem CID 139060176) has the molecular formula C44H24I4N4Zn and a molecular weight of 1181.71 g/mol. Its IUPAC name is 5,10,15,20-tetrakis(4-iodophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc.

Molecular Properties

Compound Name5,10,15,20-tetrakis(4-iodophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc
PubChem CID139060176
Molecular FormulaC44H24I4N4Zn
Molecular Weight1181.71 g/mol
Exact Mass1179.75
IUPAC Name5,10,15,20-tetrakis(4-iodophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc
SMILESIc1ccc([C+]2c3ccc([n-]3)[C+](c3ccc(I)cc3)c3ccc([n-]3)[C+](c3ccc(I)cc3)c3ccc([n-]3)[C+](c3ccc(I)cc3)c3ccc2[n-]3)cc1.[Zn]
InChIInChI=1S/C44H24I4N4.Zn/c45-29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(46)12-4-26)37-21-23-39(51-37)44(28-7-15-32(48)16-8-28)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(47)14-6-27;/h1-24H;
InChIKeyHHRVCJLPQHKGGN-UHFFFAOYSA-N
XLogP10.32
TPSA56.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001181.71
LogP ≤ 510.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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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
Aqua(5,10,15,20-tetraphenylporphyrinato-kappa^4^N)manganese(III) trifluoromethanesulfonate
CID 168326422
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
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
[Fe(TTP)(THF)~2~]
CID 139067780
(dimethylformamide)(tetraphenylporphyrinato)zinc(II)
CID 139068876
(Dimethylacetamide)(tetraphenylporphyrinato)zinc(II)
CID 139070307
(2,3,5,10,12,13,15,20-Octaaphenylporphinato)copper(II) 1,1,2,2-tetrachloroethane solvate
CID 139074335
(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

Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetrakis(4-iodophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc?
The IUPAC name of 5,10,15,20-tetrakis(4-iodophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc (CID 139060176) is 5,10,15,20-tetrakis(4-iodophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc.
What is the SMILES notation for 5,10,15,20-tetrakis(4-iodophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc?
The canonical SMILES for 5,10,15,20-tetrakis(4-iodophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc is Ic1ccc([C+]2c3ccc([n-]3)[C+](c3ccc(I)cc3)c3ccc([n-]3)[C+](c3ccc(I)cc3)c3ccc([n-]3)[C+](c3ccc(I)cc3)c3ccc2[n-]3)cc1.[Zn].
What is the InChIKey of 5,10,15,20-tetrakis(4-iodophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc?
The InChIKey is HHRVCJLPQHKGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H24I4N4.Zn/c45-29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(46)12-4-26)37-21-23-39(51-37)44(28-7-15-32(48)16-8-28)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(47)14-6-27;/h1-24H;.
What are the key properties of 5,10,15,20-tetrakis(4-iodophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc?
5,10,15,20-tetrakis(4-iodophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc has a molecular weight of 1181.71 g/mol, XLogP of 10.32, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetrakis(4-iodophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc is sourced from PubChem (CID 139060176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).