About N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-9,9-dimethylfluoren-2-amine
N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-9,9-dimethylfluoren-2-amine (PubChem CID 90336192) has the molecular formula C61H42FN
and a molecular weight of 808.01 g/mol. Its IUPAC name is N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-9,9-dimethylfluoren-2-amine.
Molecular Properties
| Compound Name | N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-9,9-dimethylfluoren-2-amine |
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| PubChem CID | 90336192 |
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| Molecular Formula | C61H42FN |
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| Molecular Weight | 808.01 g/mol |
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| Exact Mass | 807.33 |
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| IUPAC Name | N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-9,9-dimethylfluoren-2-amine |
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| SMILES | CC1(C)c2ccccc2-c2ccc(N(c3ccc(F)cc3)c3ccc(-c4ccc5c(-c6cccc7ccccc67)c6ccccc6c(-c6cccc7ccccc67)c5c4)cc3)cc21 |
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| InChI | InChI=1S/C61H42FN/c1-61(2)57-24-10-9-19-49(57)50-36-34-46(38-58(50)61)63(45-32-28-43(62)29-33-45)44-30-25-39(26-31-44)42-27-35-55-56(37-42)60(52-23-12-16-41-14-4-6-18-48(41)52)54-21-8-7-20-53(54)59(55)51-22-11-15-40-13-3-5-17-47(40)51/h3-38H,1-2H3 |
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| InChIKey | SWDJFRUTNHLHLC-UHFFFAOYSA-N |
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| XLogP | 17.22 |
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| TPSA | 3.24 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | 6 |
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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 | 808.01 |
| LogP ≤ 5 | 17.22 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-9,9-dimethylfluoren-2-amine (CID 90336192) is N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(F)cc3)c3ccc(-c4ccc5c(-c6cccc7ccccc67)c6ccccc6c(-c6cccc7ccccc67)c5c4)cc3)cc21.
What is the InChIKey of N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-9,9-dimethylfluoren-2-amine?
The InChIKey is SWDJFRUTNHLHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42FN/c1-61(2)57-24-10-9-19-49(57)50-36-34-46(38-58(50)61)63(45-32-28-43(62)29-33-45)44-30-25-39(26-31-44)42-27-35-55-56(37-42)60(52-23-12-16-41-14-4-6-18-48(41)52)54-21-8-7-20-53(54)59(55)51-22-11-15-40-13-3-5-17-47(40)51/h3-38H,1-2H3.
What are the key properties of N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-9,9-dimethylfluoren-2-amine?
N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-9,9-dimethylfluoren-2-amine has a molecular weight of 808.01 g/mol, XLogP of 17.22, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 90336192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).