About N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-methoxy-N-(4-naphthalen-2-ylphenyl)-9-pyridin-3-ylcarbazol-3-amine
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-methoxy-N-(4-naphthalen-2-ylphenyl)-9-pyridin-3-ylcarbazol-3-amine (PubChem CID 58384082) has the molecular formula C55H41N3O
and a molecular weight of 759.95 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-methoxy-N-(4-naphthalen-2-ylphenyl)-9-pyridin-3-ylcarbazol-3-amine.
Molecular Properties
| Compound Name | N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-methoxy-N-(4-naphthalen-2-ylphenyl)-9-pyridin-3-ylcarbazol-3-amine |
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| PubChem CID | 58384082 |
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| Molecular Formula | C55H41N3O |
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| Molecular Weight | 759.95 g/mol |
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| Exact Mass | 759.32 |
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| IUPAC Name | N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-methoxy-N-(4-naphthalen-2-ylphenyl)-9-pyridin-3-ylcarbazol-3-amine |
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| SMILES | COc1ccc2c(c1)c1cc(N(c3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)ccc1n2-c1cccnc1 |
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| InChI | InChI=1S/C55H41N3O/c1-55(2)51-13-7-6-12-47(51)48-27-20-41(32-52(48)55)38-18-23-43(24-19-38)57(42-21-16-37(17-22-42)40-15-14-36-9-4-5-10-39(36)31-40)44-25-28-53-49(33-44)50-34-46(59-3)26-29-54(50)58(53)45-11-8-30-56-35-45/h4-35H,1-3H3 |
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| InChIKey | HKQIZSSIASVVHI-UHFFFAOYSA-N |
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| XLogP | 14.45 |
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| TPSA | 30.29 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 7 |
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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 | 759.95 |
| LogP ≤ 5 | 14.45 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-methoxy-N-(4-naphthalen-2-ylphenyl)-9-pyridin-3-ylcarbazol-3-amine?
The IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-methoxy-N-(4-naphthalen-2-ylphenyl)-9-pyridin-3-ylcarbazol-3-amine (CID 58384082) is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-methoxy-N-(4-naphthalen-2-ylphenyl)-9-pyridin-3-ylcarbazol-3-amine.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-methoxy-N-(4-naphthalen-2-ylphenyl)-9-pyridin-3-ylcarbazol-3-amine?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-methoxy-N-(4-naphthalen-2-ylphenyl)-9-pyridin-3-ylcarbazol-3-amine is COc1ccc2c(c1)c1cc(N(c3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)ccc1n2-c1cccnc1.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-methoxy-N-(4-naphthalen-2-ylphenyl)-9-pyridin-3-ylcarbazol-3-amine?
The InChIKey is HKQIZSSIASVVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H41N3O/c1-55(2)51-13-7-6-12-47(51)48-27-20-41(32-52(48)55)38-18-23-43(24-19-38)57(42-21-16-37(17-22-42)40-15-14-36-9-4-5-10-39(36)31-40)44-25-28-53-49(33-44)50-34-46(59-3)26-29-54(50)58(53)45-11-8-30-56-35-45/h4-35H,1-3H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-methoxy-N-(4-naphthalen-2-ylphenyl)-9-pyridin-3-ylcarbazol-3-amine?
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-methoxy-N-(4-naphthalen-2-ylphenyl)-9-pyridin-3-ylcarbazol-3-amine has a molecular weight of 759.95 g/mol, XLogP of 14.45, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-methoxy-N-(4-naphthalen-2-ylphenyl)-9-pyridin-3-ylcarbazol-3-amine is sourced from PubChem (CID 58384082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).