copper;2,3,5,7-tetrapyridin-2-ylporphyrin

C40H24CuN8 — CID 175133872

IUPACcopper;2,3,5,7-tetrapyridin-2-ylporphyrin
SMILESC1=C/C2=C/C3=N/C(=C\C4=N/C(=C(/c5ccccn5)C5=N/C(=C\C1=N2)C=C5c1ccccn1)C(c1ccccn1)=C4c1ccccn1)C=C3.[Cu]
InChIInChI=1S/C40H24N8.Cu/c1-5-17-41-31(9-1)30-23-29-22-27-14-13-25(45-27)21-26-15-16-28(46-26)24-35-36(32-10-2-6-18-42-32)37(33-11-3-7-19-43-33)40(48-35)38(39(30)47-29)34-12-4-8-20-44-34;/h1-24H;/b25-21-,26-21-,27-22-,28-24-,29-22-,35-24-,39-38-,40-38-;
InChIKeyWYFGOVISOLPLMK-UGDAFGEASA-N
MW680.23 g/mol
LogP7.27
Rot. Bonds4

About copper;2,3,5,7-tetrapyridin-2-ylporphyrin

copper;2,3,5,7-tetrapyridin-2-ylporphyrin (PubChem CID 175133872) has the molecular formula C40H24CuN8 and a molecular weight of 680.23 g/mol. Its IUPAC name is copper;2,3,5,7-tetrapyridin-2-ylporphyrin.

Molecular Properties

Compound Namecopper;2,3,5,7-tetrapyridin-2-ylporphyrin
PubChem CID175133872
Molecular FormulaC40H24CuN8
Molecular Weight680.23 g/mol
Exact Mass679.14
IUPAC Namecopper;2,3,5,7-tetrapyridin-2-ylporphyrin
SMILESC1=C/C2=C/C3=N/C(=C\C4=N/C(=C(/c5ccccn5)C5=N/C(=C\C1=N2)C=C5c1ccccn1)C(c1ccccn1)=C4c1ccccn1)C=C3.[Cu]
InChIInChI=1S/C40H24N8.Cu/c1-5-17-41-31(9-1)30-23-29-22-27-14-13-25(45-27)21-26-15-16-28(46-26)24-35-36(32-10-2-6-18-42-32)37(33-11-3-7-19-43-33)40(48-35)38(39(30)47-29)34-12-4-8-20-44-34;/h1-24H;/b25-21-,26-21-,27-22-,28-24-,29-22-,35-24-,39-38-,40-38-;
InChIKeyWYFGOVISOLPLMK-UGDAFGEASA-N
XLogP7.27
TPSA101.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.23
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2,3,5,7-tetrakis(4-methyl-2-pyridinyl)porphyrin;zinc
CID 118020862
2,3,5,7-tetrakis(2,6-dichlorophenyl)porphyrin
CID 87154624
4-(15,20-diphenylporphyrin-2-yl)aniline
CID 174699441
2-nitro-3,5,7,8-tetraphenylporphyrin
CID 174442972
trimethyl-[2-phenyl-3,7,8-tris(trimethylazaniumyl)porphyrin-5-yl]azanium
CID 87973655
(3,5,7,8-tetraphenylporphyrin-2-yl)boronic acid
CID 67600477
bismuthane;porphyrin
CID 174978505
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
azane;porphyrin;zinc
CID 175189191
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113

Frequently Asked Questions

What is the IUPAC name of copper;2,3,5,7-tetrapyridin-2-ylporphyrin?
The IUPAC name of copper;2,3,5,7-tetrapyridin-2-ylporphyrin (CID 175133872) is copper;2,3,5,7-tetrapyridin-2-ylporphyrin.
What is the SMILES notation for copper;2,3,5,7-tetrapyridin-2-ylporphyrin?
The canonical SMILES for copper;2,3,5,7-tetrapyridin-2-ylporphyrin is C1=C/C2=C/C3=N/C(=C\C4=N/C(=C(/c5ccccn5)C5=N/C(=C\C1=N2)C=C5c1ccccn1)C(c1ccccn1)=C4c1ccccn1)C=C3.[Cu].
What is the InChIKey of copper;2,3,5,7-tetrapyridin-2-ylporphyrin?
The InChIKey is WYFGOVISOLPLMK-UGDAFGEASA-N. The full InChI is InChI=1S/C40H24N8.Cu/c1-5-17-41-31(9-1)30-23-29-22-27-14-13-25(45-27)21-26-15-16-28(46-26)24-35-36(32-10-2-6-18-42-32)37(33-11-3-7-19-43-33)40(48-35)38(39(30)47-29)34-12-4-8-20-44-34;/h1-24H;/b25-21-,26-21-,27-22-,28-24-,29-22-,35-24-,39-38-,40-38-;.
What are the key properties of copper;2,3,5,7-tetrapyridin-2-ylporphyrin?
copper;2,3,5,7-tetrapyridin-2-ylporphyrin has a molecular weight of 680.23 g/mol, XLogP of 7.27, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2,3,5,7-tetrapyridin-2-ylporphyrin is sourced from PubChem (CID 175133872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).