About N-(9,9-dimethylfluoren-2-yl)-N-(4-methoxyphenyl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine
N-(9,9-dimethylfluoren-2-yl)-N-(4-methoxyphenyl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine (PubChem CID 59171784) has the molecular formula C55H44N2O
and a molecular weight of 748.97 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(4-methoxyphenyl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine.
Molecular Properties
| Compound Name | N-(9,9-dimethylfluoren-2-yl)-N-(4-methoxyphenyl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine |
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| PubChem CID | 59171784 |
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| Molecular Formula | C55H44N2O |
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| Molecular Weight | 748.97 g/mol |
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| Exact Mass | 748.35 |
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| IUPAC Name | N-(9,9-dimethylfluoren-2-yl)-N-(4-methoxyphenyl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine |
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| SMILES | COc1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C(C)(C)c2cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc2-3)cc1 |
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| InChI | InChI=1S/C55H44N2O/c1-54(2)48-17-11-9-15-42(48)44-28-23-39(33-50(44)54)56(38-21-25-41(58-5)26-22-38)40-24-29-45-43-27-19-36(32-49(43)55(3,4)51(45)34-40)35-20-30-53-47(31-35)46-16-10-12-18-52(46)57(53)37-13-7-6-8-14-37/h6-34H,1-5H3 |
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| InChIKey | ZSMYIKKGOMCDSL-UHFFFAOYSA-N |
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| XLogP | 14.54 |
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| TPSA | 17.40 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 58 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 748.97 |
| LogP ≤ 5 | 14.54 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(4-methoxyphenyl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(4-methoxyphenyl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine (CID 59171784) is N-(9,9-dimethylfluoren-2-yl)-N-(4-methoxyphenyl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(4-methoxyphenyl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(4-methoxyphenyl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine is COc1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C(C)(C)c2cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc2-3)cc1.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(4-methoxyphenyl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine?
The InChIKey is ZSMYIKKGOMCDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H44N2O/c1-54(2)48-17-11-9-15-42(48)44-28-23-39(33-50(44)54)56(38-21-25-41(58-5)26-22-38)40-24-29-45-43-27-19-36(32-49(43)55(3,4)51(45)34-40)35-20-30-53-47(31-35)46-16-10-12-18-52(46)57(53)37-13-7-6-8-14-37/h6-34H,1-5H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(4-methoxyphenyl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine?
N-(9,9-dimethylfluoren-2-yl)-N-(4-methoxyphenyl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine has a molecular weight of 748.97 g/mol, XLogP of 14.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-(4-methoxyphenyl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine is sourced from PubChem (CID 59171784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).