N,N-dimethylformamide;methanol;2,3,12,13-tetrabromo-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc

C48H35Br4N5O2Zn — CID 139133395

IUPACN,N-dimethylformamide;methanol;2,3,12,13-tetrabromo-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc
SMILESBrc1c2[n-]c(c1Br)[C+](c1ccccc1)c1ccc([n-]1)[C+](c1ccccc1)c1[n-]c(c(Br)c1Br)[C+](c1ccccc1)c1ccc([n-]1)[C+]2c1ccccc1.CN(C)C=O.CO.[Zn]
InChIInChI=1S/C44H24Br4N4.C3H7NO.CH4O.Zn/c45-37-38(46)42-35(27-17-9-3-10-18-27)31-23-24-32(50-31)36(28-19-11-4-12-20-28)44-40(48)39(47)43(52-44)34(26-15-7-2-8-16-26)30-22-21-29(49-30)33(41(37)51-42)25-13-5-1-6-14-25;1-4(2)3-5;1-2;/h1-24H;3H,1-2H3;2H,1H3;
InChIKeyPYXRTLVHNVACHW-UHFFFAOYSA-N
MW1098.85 g/mol
LogP10.27
Rot. Bonds5

About N,N-dimethylformamide;methanol;2,3,12,13-tetrabromo-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc

N,N-dimethylformamide;methanol;2,3,12,13-tetrabromo-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc (PubChem CID 139133395) has the molecular formula C48H35Br4N5O2Zn and a molecular weight of 1098.85 g/mol. Its IUPAC name is N,N-dimethylformamide;methanol;2,3,12,13-tetrabromo-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc.

Molecular Properties

Compound NameN,N-dimethylformamide;methanol;2,3,12,13-tetrabromo-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc
PubChem CID139133395
Molecular FormulaC48H35Br4N5O2Zn
Molecular Weight1098.85 g/mol
Exact Mass1092.88
IUPAC NameN,N-dimethylformamide;methanol;2,3,12,13-tetrabromo-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc
SMILESBrc1c2[n-]c(c1Br)[C+](c1ccccc1)c1ccc([n-]1)[C+](c1ccccc1)c1[n-]c(c(Br)c1Br)[C+](c1ccccc1)c1ccc([n-]1)[C+]2c1ccccc1.CN(C)C=O.CO.[Zn]
InChIInChI=1S/C44H24Br4N4.C3H7NO.CH4O.Zn/c45-37-38(46)42-35(27-17-9-3-10-18-27)31-23-24-32(50-31)36(28-19-11-4-12-20-28)44-40(48)39(47)43(52-44)34(26-15-7-2-8-16-26)30-22-21-29(49-30)33(41(37)51-42)25-13-5-1-6-14-25;1-4(2)3-5;1-2;/h1-24H;3H,1-2H3;2H,1H3;
InChIKeyPYXRTLVHNVACHW-UHFFFAOYSA-N
XLogP10.27
TPSA96.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001098.85
LogP ≤ 510.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-dimethylformamide;methanol;2,3,12,13-tetrabromo-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc with MolForge

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Related Compounds

Tris(pyridine);5,10,15,20-tetrakis(4-bromophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;ZINC
CID 139050044
(dimethylformamide)(tetraphenylporphyrinato)zinc(II)
CID 139068876
(Dimethylacetamide)(tetraphenylporphyrinato)zinc(II)
CID 139070307
Benzhydrylideneazanide;ruthenium(2+);5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;hydroxide
CID 139129409
5,10,15,20-Tetrakis(4-methylphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;ZINC
CID 139142003
Ethoxyethane;5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;ZINC
CID 139169431
Iron;oxygen(2-);bis(5,10,15,20-tetrakis(4-bromophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide)
CID 139200299
N,N-dibenzyl-2-(10,15,20-triphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraid-5-yl)aniline;bis(propan-2-one);zinc
CID 168335426
bis[(cyanato-kappaO)/hydroxido(0.5/0.5)](5,10,15,20-tetraphenylporphyrinato-kappa^4^N)tin(IV)
CID 139081377

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylformamide;methanol;2,3,12,13-tetrabromo-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc?
The IUPAC name of N,N-dimethylformamide;methanol;2,3,12,13-tetrabromo-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc (CID 139133395) is N,N-dimethylformamide;methanol;2,3,12,13-tetrabromo-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc.
What is the SMILES notation for N,N-dimethylformamide;methanol;2,3,12,13-tetrabromo-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc?
The canonical SMILES for N,N-dimethylformamide;methanol;2,3,12,13-tetrabromo-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc is Brc1c2[n-]c(c1Br)[C+](c1ccccc1)c1ccc([n-]1)[C+](c1ccccc1)c1[n-]c(c(Br)c1Br)[C+](c1ccccc1)c1ccc([n-]1)[C+]2c1ccccc1.CN(C)C=O.CO.[Zn].
What is the InChIKey of N,N-dimethylformamide;methanol;2,3,12,13-tetrabromo-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc?
The InChIKey is PYXRTLVHNVACHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H24Br4N4.C3H7NO.CH4O.Zn/c45-37-38(46)42-35(27-17-9-3-10-18-27)31-23-24-32(50-31)36(28-19-11-4-12-20-28)44-40(48)39(47)43(52-44)34(26-15-7-2-8-16-26)30-22-21-29(49-30)33(41(37)51-42)25-13-5-1-6-14-25;1-4(2)3-5;1-2;/h1-24H;3H,1-2H3;2H,1H3;.
What are the key properties of N,N-dimethylformamide;methanol;2,3,12,13-tetrabromo-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc?
N,N-dimethylformamide;methanol;2,3,12,13-tetrabromo-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc has a molecular weight of 1098.85 g/mol, XLogP of 10.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;methanol;2,3,12,13-tetrabromo-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc is sourced from PubChem (CID 139133395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).