About N-(9H-fluoren-1-yl)-10-(2-phenyl-1H-inden-4-yl)-N-(4-phenylphenyl)-7H-benzo[c]fluoren-5-amine
N-(9H-fluoren-1-yl)-10-(2-phenyl-1H-inden-4-yl)-N-(4-phenylphenyl)-7H-benzo[c]fluoren-5-amine (PubChem CID 171754276) has the molecular formula C57H39N
and a molecular weight of 737.95 g/mol. Its IUPAC name is N-(9H-fluoren-1-yl)-10-(2-phenyl-1H-inden-4-yl)-N-(4-phenylphenyl)-7H-benzo[c]fluoren-5-amine.
Molecular Properties
| Compound Name | N-(9H-fluoren-1-yl)-10-(2-phenyl-1H-inden-4-yl)-N-(4-phenylphenyl)-7H-benzo[c]fluoren-5-amine |
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| PubChem CID | 171754276 |
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| Molecular Formula | C57H39N |
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| Molecular Weight | 737.95 g/mol |
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| Exact Mass | 737.31 |
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| IUPAC Name | N-(9H-fluoren-1-yl)-10-(2-phenyl-1H-inden-4-yl)-N-(4-phenylphenyl)-7H-benzo[c]fluoren-5-amine |
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| SMILES | C1=C(c2ccccc2)Cc2cccc(-c3ccc4c(c3)-c3c(cc(N(c5ccc(-c6ccccc6)cc5)c5cccc6c5Cc5ccccc5-6)c5ccccc35)C4)c21 |
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| InChI | InChI=1S/C57H39N/c1-3-13-37(14-4-1)39-27-29-46(30-28-39)58(55-24-12-23-49-47-19-8-7-17-41(47)34-54(49)55)56-36-45-32-42-25-26-43(33-53(42)57(45)51-21-10-9-20-50(51)56)48-22-11-18-40-31-44(35-52(40)48)38-15-5-2-6-16-38/h1-30,33,35-36H,31-32,34H2 |
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| InChIKey | WMUQFLTXIALPAT-UHFFFAOYSA-N |
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| XLogP | 14.88 |
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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 | 58 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 737.95 |
| LogP ≤ 5 | 14.88 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'stilbene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-(9H-fluoren-1-yl)-10-(2-phenyl-1H-inden-4-yl)-N-(4-phenylphenyl)-7H-benzo[c]fluoren-5-amine?
The IUPAC name of N-(9H-fluoren-1-yl)-10-(2-phenyl-1H-inden-4-yl)-N-(4-phenylphenyl)-7H-benzo[c]fluoren-5-amine (CID 171754276) is N-(9H-fluoren-1-yl)-10-(2-phenyl-1H-inden-4-yl)-N-(4-phenylphenyl)-7H-benzo[c]fluoren-5-amine.
What is the SMILES notation for N-(9H-fluoren-1-yl)-10-(2-phenyl-1H-inden-4-yl)-N-(4-phenylphenyl)-7H-benzo[c]fluoren-5-amine?
The canonical SMILES for N-(9H-fluoren-1-yl)-10-(2-phenyl-1H-inden-4-yl)-N-(4-phenylphenyl)-7H-benzo[c]fluoren-5-amine is C1=C(c2ccccc2)Cc2cccc(-c3ccc4c(c3)-c3c(cc(N(c5ccc(-c6ccccc6)cc5)c5cccc6c5Cc5ccccc5-6)c5ccccc35)C4)c21.
What is the InChIKey of N-(9H-fluoren-1-yl)-10-(2-phenyl-1H-inden-4-yl)-N-(4-phenylphenyl)-7H-benzo[c]fluoren-5-amine?
The InChIKey is WMUQFLTXIALPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39N/c1-3-13-37(14-4-1)39-27-29-46(30-28-39)58(55-24-12-23-49-47-19-8-7-17-41(47)34-54(49)55)56-36-45-32-42-25-26-43(33-53(42)57(45)51-21-10-9-20-50(51)56)48-22-11-18-40-31-44(35-52(40)48)38-15-5-2-6-16-38/h1-30,33,35-36H,31-32,34H2.
What are the key properties of N-(9H-fluoren-1-yl)-10-(2-phenyl-1H-inden-4-yl)-N-(4-phenylphenyl)-7H-benzo[c]fluoren-5-amine?
N-(9H-fluoren-1-yl)-10-(2-phenyl-1H-inden-4-yl)-N-(4-phenylphenyl)-7H-benzo[c]fluoren-5-amine has a molecular weight of 737.95 g/mol, XLogP of 14.88, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9H-fluoren-1-yl)-10-(2-phenyl-1H-inden-4-yl)-N-(4-phenylphenyl)-7H-benzo[c]fluoren-5-amine is sourced from PubChem (CID 171754276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).