About [1-(2,6-diphenylphenyl)-3-[3-[[9-(4-fluoro-5-pyridin-3-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum
[1-(2,6-diphenylphenyl)-3-[3-[[9-(4-fluoro-5-pyridin-3-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum (PubChem CID 165167751) has the molecular formula C53H32FN5OPt-2
and a molecular weight of 968.95 g/mol. Its IUPAC name is [1-(2,6-diphenylphenyl)-3-[3-[[9-(4-fluoro-5-pyridin-3-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum.
Molecular Properties
| Compound Name | [1-(2,6-diphenylphenyl)-3-[3-[[9-(4-fluoro-5-pyridin-3-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum |
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| PubChem CID | 165167751 |
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| Molecular Formula | C53H32FN5OPt-2 |
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| Molecular Weight | 968.95 g/mol |
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| Exact Mass | 968.22 |
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| IUPAC Name | [1-(2,6-diphenylphenyl)-3-[3-[[9-(4-fluoro-5-pyridin-3-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum |
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| SMILES | Fc1cc(-n2c3[c-]c(Oc4[c-]c(-n5c(=[Pt])n(-c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)ccc4)ccc3c3ccccc32)ncc1-c1cccnc1 |
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| InChI | InChI=1S/C53H32FN5O.Pt/c54-47-32-52(56-34-46(47)38-18-13-29-55-33-38)59-48-24-8-7-21-44(48)45-28-27-41(31-51(45)59)60-40-20-11-19-39(30-40)57-35-58(50-26-10-9-25-49(50)57)53-42(36-14-3-1-4-15-36)22-12-23-43(53)37-16-5-2-6-17-37;/h1-29,32-34H;/q-2; |
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| InChIKey | YEQZONCLMBMVBS-UHFFFAOYSA-N |
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| XLogP | 12.92 |
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| TPSA | 49.80 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 61 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 968.95 |
| LogP ≤ 5 | 12.92 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [1-(2,6-diphenylphenyl)-3-[3-[[9-(4-fluoro-5-pyridin-3-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum?
The IUPAC name of [1-(2,6-diphenylphenyl)-3-[3-[[9-(4-fluoro-5-pyridin-3-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum (CID 165167751) is [1-(2,6-diphenylphenyl)-3-[3-[[9-(4-fluoro-5-pyridin-3-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum.
What is the SMILES notation for [1-(2,6-diphenylphenyl)-3-[3-[[9-(4-fluoro-5-pyridin-3-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum?
The canonical SMILES for [1-(2,6-diphenylphenyl)-3-[3-[[9-(4-fluoro-5-pyridin-3-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum is Fc1cc(-n2c3[c-]c(Oc4[c-]c(-n5c(=[Pt])n(-c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)ccc4)ccc3c3ccccc32)ncc1-c1cccnc1.
What is the InChIKey of [1-(2,6-diphenylphenyl)-3-[3-[[9-(4-fluoro-5-pyridin-3-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum?
The InChIKey is YEQZONCLMBMVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32FN5O.Pt/c54-47-32-52(56-34-46(47)38-18-13-29-55-33-38)59-48-24-8-7-21-44(48)45-28-27-41(31-51(45)59)60-40-20-11-19-39(30-40)57-35-58(50-26-10-9-25-49(50)57)53-42(36-14-3-1-4-15-36)22-12-23-43(53)37-16-5-2-6-17-37;/h1-29,32-34H;/q-2;.
What are the key properties of [1-(2,6-diphenylphenyl)-3-[3-[[9-(4-fluoro-5-pyridin-3-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum?
[1-(2,6-diphenylphenyl)-3-[3-[[9-(4-fluoro-5-pyridin-3-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum has a molecular weight of 968.95 g/mol, XLogP of 12.92, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-diphenylphenyl)-3-[3-[[9-(4-fluoro-5-pyridin-3-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 165167751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).