zinc 5,10,15-triphenyl-20-[4-[[4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methoxy]phenyl]porphyrin-22,24-diide

C58H44N6OZn+2 — CID 140635986

IUPACzinc 5,10,15-triphenyl-20-[4-[[4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methoxy]phenyl]porphyrin-22,24-diide
SMILESCCC[n+]1ccc(-c2cc[n+](COc3ccc(-c4c5nc(c(-c6ccccc6)c6ccc([n-]6)c(-c6ccccc6)c6nc(c(-c7ccccc7)c7ccc4[n-]7)C=C6)C=C5)cc3)cc2)cc1.[Zn+2]
InChIInChI=1S/C58H44N6O.Zn/c1-2-34-63-35-30-40(31-36-63)41-32-37-64(38-33-41)39-65-46-20-18-45(19-21-46)58-53-28-26-51(61-53)56(43-14-8-4-9-15-43)49-24-22-47(59-49)55(42-12-6-3-7-13-42)48-23-25-50(60-48)57(44-16-10-5-11-17-44)52-27-29-54(58)62-52;/h3-33,35-38H,2,34,39H2,1H3;/q;+2/b55-47-,55-48-,56-49-,56-51-,57-50-,57-52-,58-53-,58-54-;
InChIKeyOZLLVVAXGUDTND-TTYMYHKSSA-N
MW906.42 g/mol
LogP12.27
Rot. Bonds10

About zinc 5,10,15-triphenyl-20-[4-[[4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methoxy]phenyl]porphyrin-22,24-diide

zinc 5,10,15-triphenyl-20-[4-[[4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methoxy]phenyl]porphyrin-22,24-diide (PubChem CID 140635986) has the molecular formula C58H44N6OZn+2 and a molecular weight of 906.42 g/mol. Its IUPAC name is zinc 5,10,15-triphenyl-20-[4-[[4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methoxy]phenyl]porphyrin-22,24-diide.

Molecular Properties

Compound Namezinc 5,10,15-triphenyl-20-[4-[[4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methoxy]phenyl]porphyrin-22,24-diide
PubChem CID140635986
Molecular FormulaC58H44N6OZn+2
Molecular Weight906.42 g/mol
Exact Mass904.29
IUPAC Namezinc 5,10,15-triphenyl-20-[4-[[4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methoxy]phenyl]porphyrin-22,24-diide
SMILESCCC[n+]1ccc(-c2cc[n+](COc3ccc(-c4c5nc(c(-c6ccccc6)c6ccc([n-]6)c(-c6ccccc6)c6nc(c(-c7ccccc7)c7ccc4[n-]7)C=C6)C=C5)cc3)cc2)cc1.[Zn+2]
InChIInChI=1S/C58H44N6O.Zn/c1-2-34-63-35-30-40(31-36-63)41-32-37-64(38-33-41)39-65-46-20-18-45(19-21-46)58-53-28-26-51(61-53)56(43-14-8-4-9-15-43)49-24-22-47(59-49)55(42-12-6-3-7-13-42)48-23-25-50(60-48)57(44-16-10-5-11-17-44)52-27-29-54(58)62-52;/h3-33,35-38H,2,34,39H2,1H3;/q;+2/b55-47-,55-48-,56-49-,56-51-,57-50-,57-52-,58-53-,58-54-;
InChIKeyOZLLVVAXGUDTND-TTYMYHKSSA-N
XLogP12.27
TPSA70.97 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500906.42
LogP ≤ 512.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze zinc 5,10,15-triphenyl-20-[4-[[4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methoxy]phenyl]porphyrin-22,24-diide with MolForge

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Related Compounds

YoYo-1
CID 6438136
4-(4-Methoxyphenyl)-2,2':6',2''-terpyridine
CID 4105676
3-Methyl-2-[4-(3-piperidin-1-yl-propoxy)-phenyl]-indolizine
CID 9841261
2-(4-Piperidinopropoxyphenyl)indolizine
CID 9923762
1-Ethyl-2-[4-(3-piperidin-1-yl-propoxy)-phenyl]-indolizine
CID 9968975
3-Ethyl-2-[4-(3-piperidinylpropoxy)phenyl]indolizine
CID 10109296
1-Phenethyl-2-[4-(3-piperidinylpropoxy)phenyl]-indolizine
CID 10114059
1-Methyl-2-[4-(3-piperidinopropoxy)-phenyl]indolizine
CID 10132505
8-Methyl-2-[4-(3-piperidin-1-yl-propoxy)-phenyl]-indolizine
CID 10132506
5-Methyl-2-(4-piperidinylpropoxyphenyl)indolizine
CID 10269256
1-Phenyl-2-[4-(3-piperidin-1-yl-propoxy)-phenyl]-indolizine
CID 44215411
4'-(4-Methoxyphenyl)-2,2':6',2''-terpyridine
CID 630929

Frequently Asked Questions

What is the IUPAC name of zinc 5,10,15-triphenyl-20-[4-[[4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methoxy]phenyl]porphyrin-22,24-diide?
The IUPAC name of zinc 5,10,15-triphenyl-20-[4-[[4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methoxy]phenyl]porphyrin-22,24-diide (CID 140635986) is zinc 5,10,15-triphenyl-20-[4-[[4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methoxy]phenyl]porphyrin-22,24-diide.
What is the SMILES notation for zinc 5,10,15-triphenyl-20-[4-[[4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methoxy]phenyl]porphyrin-22,24-diide?
The canonical SMILES for zinc 5,10,15-triphenyl-20-[4-[[4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methoxy]phenyl]porphyrin-22,24-diide is CCC[n+]1ccc(-c2cc[n+](COc3ccc(-c4c5nc(c(-c6ccccc6)c6ccc([n-]6)c(-c6ccccc6)c6nc(c(-c7ccccc7)c7ccc4[n-]7)C=C6)C=C5)cc3)cc2)cc1.[Zn+2].
What is the InChIKey of zinc 5,10,15-triphenyl-20-[4-[[4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methoxy]phenyl]porphyrin-22,24-diide?
The InChIKey is OZLLVVAXGUDTND-TTYMYHKSSA-N. The full InChI is InChI=1S/C58H44N6O.Zn/c1-2-34-63-35-30-40(31-36-63)41-32-37-64(38-33-41)39-65-46-20-18-45(19-21-46)58-53-28-26-51(61-53)56(43-14-8-4-9-15-43)49-24-22-47(59-49)55(42-12-6-3-7-13-42)48-23-25-50(60-48)57(44-16-10-5-11-17-44)52-27-29-54(58)62-52;/h3-33,35-38H,2,34,39H2,1H3;/q;+2/b55-47-,55-48-,56-49-,56-51-,57-50-,57-52-,58-53-,58-54-;.
What are the key properties of zinc 5,10,15-triphenyl-20-[4-[[4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methoxy]phenyl]porphyrin-22,24-diide?
zinc 5,10,15-triphenyl-20-[4-[[4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methoxy]phenyl]porphyrin-22,24-diide has a molecular weight of 906.42 g/mol, XLogP of 12.27, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for zinc 5,10,15-triphenyl-20-[4-[[4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methoxy]phenyl]porphyrin-22,24-diide is sourced from PubChem (CID 140635986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).