pyridine;2,3,7,8-tetraethyl-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc

C57H49N5Zn — CID 139135149

IUPACpyridine;2,3,7,8-tetraethyl-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc
SMILESCCc1c2[n-]c(c1CC)[C+](c1ccccc1)c1[n-]c(c(CC)c1CC)[C+](c1ccccc1)c1ccc([n-]1)[C+](c1ccccc1)c1ccc([n-]1)[C+]2c1ccccc1.[Zn].c1ccncc1
InChIInChI=1S/C52H44N4.C5H5N.Zn/c1-5-37-39(7-3)51-48(36-27-19-12-20-28-36)52-40(8-4)38(6-2)50(56-52)47(35-25-17-11-18-26-35)44-32-30-42(54-44)45(33-21-13-9-14-22-33)41-29-31-43(53-41)46(49(37)55-51)34-23-15-10-16-24-34;1-2-4-6-5-3-1;/h9-32H,5-8H2,1-4H3;1-5H;
InChIKeySVDPRKLJBLVRCP-UHFFFAOYSA-N
MW869.44 g/mol
LogP11.23
Rot. Bonds8

About pyridine;2,3,7,8-tetraethyl-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc

pyridine;2,3,7,8-tetraethyl-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc (PubChem CID 139135149) has the molecular formula C57H49N5Zn and a molecular weight of 869.44 g/mol. Its IUPAC name is pyridine;2,3,7,8-tetraethyl-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc.

Molecular Properties

Compound Namepyridine;2,3,7,8-tetraethyl-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc
PubChem CID139135149
Molecular FormulaC57H49N5Zn
Molecular Weight869.44 g/mol
Exact Mass867.33
IUPAC Namepyridine;2,3,7,8-tetraethyl-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc
SMILESCCc1c2[n-]c(c1CC)[C+](c1ccccc1)c1[n-]c(c(CC)c1CC)[C+](c1ccccc1)c1ccc([n-]1)[C+](c1ccccc1)c1ccc([n-]1)[C+]2c1ccccc1.[Zn].c1ccncc1
InChIInChI=1S/C52H44N4.C5H5N.Zn/c1-5-37-39(7-3)51-48(36-27-19-12-20-28-36)52-40(8-4)38(6-2)50(56-52)47(35-25-17-11-18-26-35)44-32-30-42(54-44)45(33-21-13-9-14-22-33)41-29-31-43(53-41)46(49(37)55-51)34-23-15-10-16-24-34;1-2-4-6-5-3-1;/h9-32H,5-8H2,1-4H3;1-5H;
InChIKeySVDPRKLJBLVRCP-UHFFFAOYSA-N
XLogP11.23
TPSA69.29 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.44
LogP ≤ 511.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pyridine;2,3,7,8-tetraethyl-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc?
The IUPAC name of pyridine;2,3,7,8-tetraethyl-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc (CID 139135149) is pyridine;2,3,7,8-tetraethyl-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc.
What is the SMILES notation for pyridine;2,3,7,8-tetraethyl-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc?
The canonical SMILES for pyridine;2,3,7,8-tetraethyl-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc is CCc1c2[n-]c(c1CC)[C+](c1ccccc1)c1[n-]c(c(CC)c1CC)[C+](c1ccccc1)c1ccc([n-]1)[C+](c1ccccc1)c1ccc([n-]1)[C+]2c1ccccc1.[Zn].c1ccncc1.
What is the InChIKey of pyridine;2,3,7,8-tetraethyl-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc?
The InChIKey is SVDPRKLJBLVRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H44N4.C5H5N.Zn/c1-5-37-39(7-3)51-48(36-27-19-12-20-28-36)52-40(8-4)38(6-2)50(56-52)47(35-25-17-11-18-26-35)44-32-30-42(54-44)45(33-21-13-9-14-22-33)41-29-31-43(53-41)46(49(37)55-51)34-23-15-10-16-24-34;1-2-4-6-5-3-1;/h9-32H,5-8H2,1-4H3;1-5H;.
What are the key properties of pyridine;2,3,7,8-tetraethyl-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc?
pyridine;2,3,7,8-tetraethyl-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc has a molecular weight of 869.44 g/mol, XLogP of 11.23, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine;2,3,7,8-tetraethyl-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc is sourced from PubChem (CID 139135149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).