About 9-[4-(9-phenylfluoren-9-yl)phenyl]-10-[4-[2-(4-phenylnaphthalen-1-yl)ethenyl]phenyl]anthracene
9-[4-(9-phenylfluoren-9-yl)phenyl]-10-[4-[2-(4-phenylnaphthalen-1-yl)ethenyl]phenyl]anthracene (PubChem CID 123929110) has the molecular formula C63H42
and a molecular weight of 799.03 g/mol. Its IUPAC name is 9-[4-(9-phenylfluoren-9-yl)phenyl]-10-[4-[2-(4-phenylnaphthalen-1-yl)ethenyl]phenyl]anthracene.
Molecular Properties
| Compound Name | 9-[4-(9-phenylfluoren-9-yl)phenyl]-10-[4-[2-(4-phenylnaphthalen-1-yl)ethenyl]phenyl]anthracene |
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| PubChem CID | 123929110 |
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| Molecular Formula | C63H42 |
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| Molecular Weight | 799.03 g/mol |
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| Exact Mass | 798.33 |
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| IUPAC Name | 9-[4-(9-phenylfluoren-9-yl)phenyl]-10-[4-[2-(4-phenylnaphthalen-1-yl)ethenyl]phenyl]anthracene |
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| SMILES | C(=Cc1ccc(-c2ccccc2)c2ccccc12)c1ccc(-c2c3ccccc3c(-c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)c3ccccc23)cc1 |
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| InChI | InChI=1S/C63H42/c1-3-17-44(18-4-1)51-42-39-45(50-21-7-8-22-52(50)51)34-31-43-32-35-46(36-33-43)61-55-25-9-11-27-57(55)62(58-28-12-10-26-56(58)61)47-37-40-49(41-38-47)63(48-19-5-2-6-20-48)59-29-15-13-23-53(59)54-24-14-16-30-60(54)63/h1-42H |
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| InChIKey | KYIWBUWGQSMECC-UHFFFAOYSA-N |
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| XLogP | 16.68 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | 7 |
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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 | 799.03 |
| LogP ≤ 5 | 16.68 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 9-[4-(9-phenylfluoren-9-yl)phenyl]-10-[4-[2-(4-phenylnaphthalen-1-yl)ethenyl]phenyl]anthracene?
The IUPAC name of 9-[4-(9-phenylfluoren-9-yl)phenyl]-10-[4-[2-(4-phenylnaphthalen-1-yl)ethenyl]phenyl]anthracene (CID 123929110) is 9-[4-(9-phenylfluoren-9-yl)phenyl]-10-[4-[2-(4-phenylnaphthalen-1-yl)ethenyl]phenyl]anthracene.
What is the SMILES notation for 9-[4-(9-phenylfluoren-9-yl)phenyl]-10-[4-[2-(4-phenylnaphthalen-1-yl)ethenyl]phenyl]anthracene?
The canonical SMILES for 9-[4-(9-phenylfluoren-9-yl)phenyl]-10-[4-[2-(4-phenylnaphthalen-1-yl)ethenyl]phenyl]anthracene is C(=Cc1ccc(-c2ccccc2)c2ccccc12)c1ccc(-c2c3ccccc3c(-c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)c3ccccc23)cc1.
What is the InChIKey of 9-[4-(9-phenylfluoren-9-yl)phenyl]-10-[4-[2-(4-phenylnaphthalen-1-yl)ethenyl]phenyl]anthracene?
The InChIKey is KYIWBUWGQSMECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42/c1-3-17-44(18-4-1)51-42-39-45(50-21-7-8-22-52(50)51)34-31-43-32-35-46(36-33-43)61-55-25-9-11-27-57(55)62(58-28-12-10-26-56(58)61)47-37-40-49(41-38-47)63(48-19-5-2-6-20-48)59-29-15-13-23-53(59)54-24-14-16-30-60(54)63/h1-42H.
What are the key properties of 9-[4-(9-phenylfluoren-9-yl)phenyl]-10-[4-[2-(4-phenylnaphthalen-1-yl)ethenyl]phenyl]anthracene?
9-[4-(9-phenylfluoren-9-yl)phenyl]-10-[4-[2-(4-phenylnaphthalen-1-yl)ethenyl]phenyl]anthracene has a molecular weight of 799.03 g/mol, XLogP of 16.68, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(9-phenylfluoren-9-yl)phenyl]-10-[4-[2-(4-phenylnaphthalen-1-yl)ethenyl]phenyl]anthracene is sourced from PubChem (CID 123929110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).