About [1-(2,6-diphenylphenyl)-3-[3-fluoro-5-[[9-(5-pyridin-4-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]benzimidazol-2-ylidene]platinum
[1-(2,6-diphenylphenyl)-3-[3-fluoro-5-[[9-(5-pyridin-4-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]benzimidazol-2-ylidene]platinum (PubChem CID 165167692) 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-fluoro-5-[[9-(5-pyridin-4-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]benzimidazol-2-ylidene]platinum.
Molecular Properties
| Compound Name | [1-(2,6-diphenylphenyl)-3-[3-fluoro-5-[[9-(5-pyridin-4-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]benzimidazol-2-ylidene]platinum |
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| PubChem CID | 165167692 |
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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-fluoro-5-[[9-(5-pyridin-4-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]benzimidazol-2-ylidene]platinum |
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| SMILES | Fc1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccc(-c3ccncc3)cn2)[c-]c(-n2c(=[Pt])n(-c3c(-c4ccccc4)cccc3-c3ccccc3)c3ccccc32)c1 |
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| InChI | InChI=1S/C53H32FN5O.Pt/c54-40-30-41(57-35-58(50-21-10-9-20-49(50)57)53-44(37-12-3-1-4-13-37)17-11-18-45(53)38-14-5-2-6-15-38)32-43(31-40)60-42-23-24-47-46-16-7-8-19-48(46)59(51(47)33-42)52-25-22-39(34-56-52)36-26-28-55-29-27-36;/h1-31,34H;/q-2; |
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| InChIKey | PPUQBVPUMMQHMR-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-fluoro-5-[[9-(5-pyridin-4-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]benzimidazol-2-ylidene]platinum?
The IUPAC name of [1-(2,6-diphenylphenyl)-3-[3-fluoro-5-[[9-(5-pyridin-4-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]benzimidazol-2-ylidene]platinum (CID 165167692) is [1-(2,6-diphenylphenyl)-3-[3-fluoro-5-[[9-(5-pyridin-4-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]benzimidazol-2-ylidene]platinum.
What is the SMILES notation for [1-(2,6-diphenylphenyl)-3-[3-fluoro-5-[[9-(5-pyridin-4-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]benzimidazol-2-ylidene]platinum?
The canonical SMILES for [1-(2,6-diphenylphenyl)-3-[3-fluoro-5-[[9-(5-pyridin-4-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]benzimidazol-2-ylidene]platinum is Fc1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccc(-c3ccncc3)cn2)[c-]c(-n2c(=[Pt])n(-c3c(-c4ccccc4)cccc3-c3ccccc3)c3ccccc32)c1.
What is the InChIKey of [1-(2,6-diphenylphenyl)-3-[3-fluoro-5-[[9-(5-pyridin-4-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]benzimidazol-2-ylidene]platinum?
The InChIKey is PPUQBVPUMMQHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32FN5O.Pt/c54-40-30-41(57-35-58(50-21-10-9-20-49(50)57)53-44(37-12-3-1-4-13-37)17-11-18-45(53)38-14-5-2-6-15-38)32-43(31-40)60-42-23-24-47-46-16-7-8-19-48(46)59(51(47)33-42)52-25-22-39(34-56-52)36-26-28-55-29-27-36;/h1-31,34H;/q-2;.
What are the key properties of [1-(2,6-diphenylphenyl)-3-[3-fluoro-5-[[9-(5-pyridin-4-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]benzimidazol-2-ylidene]platinum?
[1-(2,6-diphenylphenyl)-3-[3-fluoro-5-[[9-(5-pyridin-4-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-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-fluoro-5-[[9-(5-pyridin-4-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 165167692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).