About 3-phenyl-4-pyridin-2-yl-2-[4-(7-pyridin-3-ylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]imidazo[4,5-c]quinoline
3-phenyl-4-pyridin-2-yl-2-[4-(7-pyridin-3-ylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]imidazo[4,5-c]quinoline (PubChem CID 146581065) has the molecular formula C57H35N5O
and a molecular weight of 805.94 g/mol. Its IUPAC name is 3-phenyl-4-pyridin-2-yl-2-[4-(7-pyridin-3-ylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]imidazo[4,5-c]quinoline.
Molecular Properties
| Compound Name | 3-phenyl-4-pyridin-2-yl-2-[4-(7-pyridin-3-ylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]imidazo[4,5-c]quinoline |
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| PubChem CID | 146581065 |
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| Molecular Formula | C57H35N5O |
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| Molecular Weight | 805.94 g/mol |
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| Exact Mass | 805.28 |
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| IUPAC Name | 3-phenyl-4-pyridin-2-yl-2-[4-(7-pyridin-3-ylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]imidazo[4,5-c]quinoline |
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| SMILES | c1ccc(-n2c(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4cc(-c6cccnc6)ccc4-5)cc3)nc3c4ccccc4nc(-c4ccccn4)c32)cc1 |
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| InChI | InChI=1S/C57H35N5O/c1-2-14-41(15-3-1)62-55-53(44-16-4-7-19-49(44)60-54(55)50-20-10-11-32-59-50)61-56(62)37-25-23-36(24-26-37)38-27-29-42-43-30-28-39(40-13-12-31-58-35-40)34-48(43)57(47(42)33-38)45-17-5-8-21-51(45)63-52-22-9-6-18-46(52)57/h1-35H |
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| InChIKey | NEYWNHBKWWVFBX-UHFFFAOYSA-N |
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| XLogP | 13.50 |
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| TPSA | 65.72 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 63 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 805.94 |
| LogP ≤ 5 | 13.50 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of 3-phenyl-4-pyridin-2-yl-2-[4-(7-pyridin-3-ylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]imidazo[4,5-c]quinoline?
The IUPAC name of 3-phenyl-4-pyridin-2-yl-2-[4-(7-pyridin-3-ylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]imidazo[4,5-c]quinoline (CID 146581065) is 3-phenyl-4-pyridin-2-yl-2-[4-(7-pyridin-3-ylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]imidazo[4,5-c]quinoline.
What is the SMILES notation for 3-phenyl-4-pyridin-2-yl-2-[4-(7-pyridin-3-ylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]imidazo[4,5-c]quinoline?
The canonical SMILES for 3-phenyl-4-pyridin-2-yl-2-[4-(7-pyridin-3-ylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]imidazo[4,5-c]quinoline is c1ccc(-n2c(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4cc(-c6cccnc6)ccc4-5)cc3)nc3c4ccccc4nc(-c4ccccn4)c32)cc1.
What is the InChIKey of 3-phenyl-4-pyridin-2-yl-2-[4-(7-pyridin-3-ylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]imidazo[4,5-c]quinoline?
The InChIKey is NEYWNHBKWWVFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N5O/c1-2-14-41(15-3-1)62-55-53(44-16-4-7-19-49(44)60-54(55)50-20-10-11-32-59-50)61-56(62)37-25-23-36(24-26-37)38-27-29-42-43-30-28-39(40-13-12-31-58-35-40)34-48(43)57(47(42)33-38)45-17-5-8-21-51(45)63-52-22-9-6-18-46(52)57/h1-35H.
What are the key properties of 3-phenyl-4-pyridin-2-yl-2-[4-(7-pyridin-3-ylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]imidazo[4,5-c]quinoline?
3-phenyl-4-pyridin-2-yl-2-[4-(7-pyridin-3-ylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]imidazo[4,5-c]quinoline has a molecular weight of 805.94 g/mol, XLogP of 13.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-pyridin-2-yl-2-[4-(7-pyridin-3-ylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]imidazo[4,5-c]quinoline is sourced from PubChem (CID 146581065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).