2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;propan-2-one;zinc

C68H47N7OZn — CID 139201623

IUPAC2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;propan-2-one;zinc
SMILESCC(C)=O.[Zn].c1ccc([C+]2c3ccc([n-]3)[C+](c3ccccc3)c3ccc([n-]3)[C+](c3ccccc3)c3[n-]c(cc3-c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)[C+](c3ccccc3)c3ccc2[n-]3)cc1
InChIInChI=1S/C65H41N7.C3H6O.Zn/c1-5-17-44(18-6-1)61-52-31-32-53(68-52)62(45-19-7-2-8-20-45)55-35-36-57(70-55)64(47-23-11-4-12-24-47)65-49(41-60(72-65)63(46-21-9-3-10-22-46)56-34-33-54(61)69-56)43-29-27-42(28-30-43)48-39-58(50-25-13-15-37-66-50)71-59(40-48)51-26-14-16-38-67-51;1-3(2)4;/h1-41H;1-2H3;
InChIKeyPFVVUEYUKYOPTO-UHFFFAOYSA-N
MW1043.56 g/mol
LogP13.35
Rot. Bonds8

About 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;propan-2-one;zinc

2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;propan-2-one;zinc (PubChem CID 139201623) has the molecular formula C68H47N7OZn and a molecular weight of 1043.56 g/mol. Its IUPAC name is 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;propan-2-one;zinc.

Molecular Properties

Compound Name2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;propan-2-one;zinc
PubChem CID139201623
Molecular FormulaC68H47N7OZn
Molecular Weight1043.56 g/mol
Exact Mass1041.31
IUPAC Name2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;propan-2-one;zinc
SMILESCC(C)=O.[Zn].c1ccc([C+]2c3ccc([n-]3)[C+](c3ccccc3)c3ccc([n-]3)[C+](c3ccccc3)c3[n-]c(cc3-c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)[C+](c3ccccc3)c3ccc2[n-]3)cc1
InChIInChI=1S/C65H41N7.C3H6O.Zn/c1-5-17-44(18-6-1)61-52-31-32-53(68-52)62(45-19-7-2-8-20-45)55-35-36-57(70-55)64(47-23-11-4-12-24-47)65-49(41-60(72-65)63(46-21-9-3-10-22-46)56-34-33-54(61)69-56)43-29-27-42(28-30-43)48-39-58(50-25-13-15-37-66-50)71-59(40-48)51-26-14-16-38-67-51;1-3(2)4;/h1-41H;1-2H3;
InChIKeyPFVVUEYUKYOPTO-UHFFFAOYSA-N
XLogP13.35
TPSA112.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001043.56
LogP ≤ 513.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;propan-2-one;zinc with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122364716
4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122364714
ethane;4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine
CID 142185712
chloroplatinum(1+);4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine;chloride
CID 165430889
2-[4-(4-carboxyphenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-4-carboxylic acid
CID 102183000
4-[2-[4-(4-hydroxyphenyl)-6-pyridin-2-yl-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenol
CID 136661911
4-[4-(12-phenylchrysen-6-yl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 155655346
4-phenyl-2-[6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-6-pyridin-2-ylpyridine
CID 15788654
[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methanol
CID 71437815
N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,2-dimethylpropanamide
CID 101177387
4-phenyl-2-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-6-pyridin-2-ylpyridine;2-pyridin-2-yl-6-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyridine
CID 158535696
N,N-dimethylacetamide;5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc
CID 139070307

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;propan-2-one;zinc?
The IUPAC name of 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;propan-2-one;zinc (CID 139201623) is 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;propan-2-one;zinc.
What is the SMILES notation for 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;propan-2-one;zinc?
The canonical SMILES for 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;propan-2-one;zinc is CC(C)=O.[Zn].c1ccc([C+]2c3ccc([n-]3)[C+](c3ccccc3)c3ccc([n-]3)[C+](c3ccccc3)c3[n-]c(cc3-c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)[C+](c3ccccc3)c3ccc2[n-]3)cc1.
What is the InChIKey of 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;propan-2-one;zinc?
The InChIKey is PFVVUEYUKYOPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H41N7.C3H6O.Zn/c1-5-17-44(18-6-1)61-52-31-32-53(68-52)62(45-19-7-2-8-20-45)55-35-36-57(70-55)64(47-23-11-4-12-24-47)65-49(41-60(72-65)63(46-21-9-3-10-22-46)56-34-33-54(61)69-56)43-29-27-42(28-30-43)48-39-58(50-25-13-15-37-66-50)71-59(40-48)51-26-14-16-38-67-51;1-3(2)4;/h1-41H;1-2H3;.
What are the key properties of 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;propan-2-one;zinc?
2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;propan-2-one;zinc has a molecular weight of 1043.56 g/mol, XLogP of 13.35, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;propan-2-one;zinc is sourced from PubChem (CID 139201623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).