About 3-methyl-N-[4-(4-phenoxazin-10-ylphenyl)phenyl]-N-phenylspiro[3,4-dihydrofluorene-9,9'-fluorene]-4-amine
3-methyl-N-[4-(4-phenoxazin-10-ylphenyl)phenyl]-N-phenylspiro[3,4-dihydrofluorene-9,9'-fluorene]-4-amine (PubChem CID 137469013) has the molecular formula C56H40N2O
and a molecular weight of 756.95 g/mol. Its IUPAC name is 3-methyl-N-[4-(4-phenoxazin-10-ylphenyl)phenyl]-N-phenylspiro[3,4-dihydrofluorene-9,9'-fluorene]-4-amine.
Molecular Properties
| Compound Name | 3-methyl-N-[4-(4-phenoxazin-10-ylphenyl)phenyl]-N-phenylspiro[3,4-dihydrofluorene-9,9'-fluorene]-4-amine |
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| PubChem CID | 137469013 |
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| Molecular Formula | C56H40N2O |
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| Molecular Weight | 756.95 g/mol |
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| Exact Mass | 756.31 |
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| IUPAC Name | 3-methyl-N-[4-(4-phenoxazin-10-ylphenyl)phenyl]-N-phenylspiro[3,4-dihydrofluorene-9,9'-fluorene]-4-amine |
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| SMILES | CC1C=CC2=C(c3ccccc3C23c2ccccc2-c2ccccc23)C1N(c1ccccc1)c1ccc(-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)cc1 |
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| InChI | InChI=1S/C56H40N2O/c1-37-27-36-49-54(45-19-7-10-22-48(45)56(49)46-20-8-5-17-43(46)44-18-6-9-21-47(44)56)55(37)57(40-15-3-2-4-16-40)41-32-28-38(29-33-41)39-30-34-42(35-31-39)58-50-23-11-13-25-52(50)59-53-26-14-12-24-51(53)58/h2-37,55H,1H3 |
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| InChIKey | UZMIQALIEZQGIF-UHFFFAOYSA-N |
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| XLogP | 14.42 |
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| TPSA | 15.71 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 59 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 756.95 |
| LogP ≤ 5 | 14.42 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 3-methyl-N-[4-(4-phenoxazin-10-ylphenyl)phenyl]-N-phenylspiro[3,4-dihydrofluorene-9,9'-fluorene]-4-amine?
The IUPAC name of 3-methyl-N-[4-(4-phenoxazin-10-ylphenyl)phenyl]-N-phenylspiro[3,4-dihydrofluorene-9,9'-fluorene]-4-amine (CID 137469013) is 3-methyl-N-[4-(4-phenoxazin-10-ylphenyl)phenyl]-N-phenylspiro[3,4-dihydrofluorene-9,9'-fluorene]-4-amine.
What is the SMILES notation for 3-methyl-N-[4-(4-phenoxazin-10-ylphenyl)phenyl]-N-phenylspiro[3,4-dihydrofluorene-9,9'-fluorene]-4-amine?
The canonical SMILES for 3-methyl-N-[4-(4-phenoxazin-10-ylphenyl)phenyl]-N-phenylspiro[3,4-dihydrofluorene-9,9'-fluorene]-4-amine is CC1C=CC2=C(c3ccccc3C23c2ccccc2-c2ccccc23)C1N(c1ccccc1)c1ccc(-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)cc1.
What is the InChIKey of 3-methyl-N-[4-(4-phenoxazin-10-ylphenyl)phenyl]-N-phenylspiro[3,4-dihydrofluorene-9,9'-fluorene]-4-amine?
The InChIKey is UZMIQALIEZQGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40N2O/c1-37-27-36-49-54(45-19-7-10-22-48(45)56(49)46-20-8-5-17-43(46)44-18-6-9-21-47(44)56)55(37)57(40-15-3-2-4-16-40)41-32-28-38(29-33-41)39-30-34-42(35-31-39)58-50-23-11-13-25-52(50)59-53-26-14-12-24-51(53)58/h2-37,55H,1H3.
What are the key properties of 3-methyl-N-[4-(4-phenoxazin-10-ylphenyl)phenyl]-N-phenylspiro[3,4-dihydrofluorene-9,9'-fluorene]-4-amine?
3-methyl-N-[4-(4-phenoxazin-10-ylphenyl)phenyl]-N-phenylspiro[3,4-dihydrofluorene-9,9'-fluorene]-4-amine has a molecular weight of 756.95 g/mol, XLogP of 14.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(4-phenoxazin-10-ylphenyl)phenyl]-N-phenylspiro[3,4-dihydrofluorene-9,9'-fluorene]-4-amine is sourced from PubChem (CID 137469013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).