About 5-phenyl-10-[2-[4-[3-[1-[2-(10-phenylphenazin-5-yl)phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]phenazine
5-phenyl-10-[2-[4-[3-[1-[2-(10-phenylphenazin-5-yl)phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]phenazine (PubChem CID 118303670) has the molecular formula C58H40N10
and a molecular weight of 877.03 g/mol. Its IUPAC name is 5-phenyl-10-[2-[4-[3-[1-[2-(10-phenylphenazin-5-yl)phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]phenazine.
Molecular Properties
| Compound Name | 5-phenyl-10-[2-[4-[3-[1-[2-(10-phenylphenazin-5-yl)phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]phenazine |
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| PubChem CID | 118303670 |
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| Molecular Formula | C58H40N10 |
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| Molecular Weight | 877.03 g/mol |
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| Exact Mass | 876.34 |
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| IUPAC Name | 5-phenyl-10-[2-[4-[3-[1-[2-(10-phenylphenazin-5-yl)phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]phenazine |
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| SMILES | c1ccc(N2c3ccccc3N(c3ccccc3-n3cc(-c4cccc(-c5cn(-c6ccccc6N6c7ccccc7N(c7ccccc7)c7ccccc76)nn5)c4)nn3)c3ccccc32)cc1 |
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| InChI | InChI=1S/C58H40N10/c1-3-22-43(23-4-1)65-51-30-11-15-34-55(51)67(56-35-16-12-31-52(56)65)49-28-9-7-26-47(49)63-39-45(59-61-63)41-20-19-21-42(38-41)46-40-64(62-60-46)48-27-8-10-29-50(48)68-57-36-17-13-32-53(57)66(44-24-5-2-6-25-44)54-33-14-18-37-58(54)68/h1-40H |
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| InChIKey | JFADAHCSSBYMPI-UHFFFAOYSA-N |
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| XLogP | 14.69 |
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| TPSA | 74.38 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 10 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 68 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 877.03 |
| LogP ≤ 5 | 14.69 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
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Frequently Asked Questions
What is the IUPAC name of 5-phenyl-10-[2-[4-[3-[1-[2-(10-phenylphenazin-5-yl)phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]phenazine?
The IUPAC name of 5-phenyl-10-[2-[4-[3-[1-[2-(10-phenylphenazin-5-yl)phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]phenazine (CID 118303670) is 5-phenyl-10-[2-[4-[3-[1-[2-(10-phenylphenazin-5-yl)phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]phenazine.
What is the SMILES notation for 5-phenyl-10-[2-[4-[3-[1-[2-(10-phenylphenazin-5-yl)phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]phenazine?
The canonical SMILES for 5-phenyl-10-[2-[4-[3-[1-[2-(10-phenylphenazin-5-yl)phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]phenazine is c1ccc(N2c3ccccc3N(c3ccccc3-n3cc(-c4cccc(-c5cn(-c6ccccc6N6c7ccccc7N(c7ccccc7)c7ccccc76)nn5)c4)nn3)c3ccccc32)cc1.
What is the InChIKey of 5-phenyl-10-[2-[4-[3-[1-[2-(10-phenylphenazin-5-yl)phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]phenazine?
The InChIKey is JFADAHCSSBYMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N10/c1-3-22-43(23-4-1)65-51-30-11-15-34-55(51)67(56-35-16-12-31-52(56)65)49-28-9-7-26-47(49)63-39-45(59-61-63)41-20-19-21-42(38-41)46-40-64(62-60-46)48-27-8-10-29-50(48)68-57-36-17-13-32-53(57)66(44-24-5-2-6-25-44)54-33-14-18-37-58(54)68/h1-40H.
What are the key properties of 5-phenyl-10-[2-[4-[3-[1-[2-(10-phenylphenazin-5-yl)phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]phenazine?
5-phenyl-10-[2-[4-[3-[1-[2-(10-phenylphenazin-5-yl)phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]phenazine has a molecular weight of 877.03 g/mol, XLogP of 14.69, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-10-[2-[4-[3-[1-[2-(10-phenylphenazin-5-yl)phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]phenazine is sourced from PubChem (CID 118303670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).