About 2-[[4-[2-[2,7-dimethyl-9-[2-[4-(oxiran-2-ylmethyl)phenyl]ethyl]fluoren-9-yl]ethyl]phenyl]methyl]oxirane
2-[[4-[2-[2,7-dimethyl-9-[2-[4-(oxiran-2-ylmethyl)phenyl]ethyl]fluoren-9-yl]ethyl]phenyl]methyl]oxirane (PubChem CID 134370830) has the molecular formula C37H38O2
and a molecular weight of 514.71 g/mol. Its IUPAC name is 2-[[4-[2-[2,7-dimethyl-9-[2-[4-(oxiran-2-ylmethyl)phenyl]ethyl]fluoren-9-yl]ethyl]phenyl]methyl]oxirane.
Molecular Properties
| Compound Name | 2-[[4-[2-[2,7-dimethyl-9-[2-[4-(oxiran-2-ylmethyl)phenyl]ethyl]fluoren-9-yl]ethyl]phenyl]methyl]oxirane |
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| PubChem CID | 134370830 |
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| Molecular Formula | C37H38O2 |
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| Molecular Weight | 514.71 g/mol |
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| Exact Mass | 514.29 |
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| IUPAC Name | 2-[[4-[2-[2,7-dimethyl-9-[2-[4-(oxiran-2-ylmethyl)phenyl]ethyl]fluoren-9-yl]ethyl]phenyl]methyl]oxirane |
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| SMILES | Cc1ccc2c(c1)C(CCc1ccc(CC3CO3)cc1)(CCc1ccc(CC3CO3)cc1)c1cc(C)ccc1-2 |
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| InChI | InChI=1S/C37H38O2/c1-25-3-13-33-34-14-4-26(2)20-36(34)37(35(33)19-25,17-15-27-5-9-29(10-6-27)21-31-23-38-31)18-16-28-7-11-30(12-8-28)22-32-24-39-32/h3-14,19-20,31-32H,15-18,21-24H2,1-2H3 |
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| InChIKey | FCYIMOPQZULSIA-UHFFFAOYSA-N |
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| XLogP | 7.72 |
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| TPSA | 25.06 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 39 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 514.71 |
| LogP ≤ 5 | 7.72 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-[[4-[2-[2,7-dimethyl-9-[2-[4-(oxiran-2-ylmethyl)phenyl]ethyl]fluoren-9-yl]ethyl]phenyl]methyl]oxirane?
The IUPAC name of 2-[[4-[2-[2,7-dimethyl-9-[2-[4-(oxiran-2-ylmethyl)phenyl]ethyl]fluoren-9-yl]ethyl]phenyl]methyl]oxirane (CID 134370830) is 2-[[4-[2-[2,7-dimethyl-9-[2-[4-(oxiran-2-ylmethyl)phenyl]ethyl]fluoren-9-yl]ethyl]phenyl]methyl]oxirane.
What is the SMILES notation for 2-[[4-[2-[2,7-dimethyl-9-[2-[4-(oxiran-2-ylmethyl)phenyl]ethyl]fluoren-9-yl]ethyl]phenyl]methyl]oxirane?
The canonical SMILES for 2-[[4-[2-[2,7-dimethyl-9-[2-[4-(oxiran-2-ylmethyl)phenyl]ethyl]fluoren-9-yl]ethyl]phenyl]methyl]oxirane is Cc1ccc2c(c1)C(CCc1ccc(CC3CO3)cc1)(CCc1ccc(CC3CO3)cc1)c1cc(C)ccc1-2.
What is the InChIKey of 2-[[4-[2-[2,7-dimethyl-9-[2-[4-(oxiran-2-ylmethyl)phenyl]ethyl]fluoren-9-yl]ethyl]phenyl]methyl]oxirane?
The InChIKey is FCYIMOPQZULSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38O2/c1-25-3-13-33-34-14-4-26(2)20-36(34)37(35(33)19-25,17-15-27-5-9-29(10-6-27)21-31-23-38-31)18-16-28-7-11-30(12-8-28)22-32-24-39-32/h3-14,19-20,31-32H,15-18,21-24H2,1-2H3.
What are the key properties of 2-[[4-[2-[2,7-dimethyl-9-[2-[4-(oxiran-2-ylmethyl)phenyl]ethyl]fluoren-9-yl]ethyl]phenyl]methyl]oxirane?
2-[[4-[2-[2,7-dimethyl-9-[2-[4-(oxiran-2-ylmethyl)phenyl]ethyl]fluoren-9-yl]ethyl]phenyl]methyl]oxirane has a molecular weight of 514.71 g/mol, XLogP of 7.72, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-[2,7-dimethyl-9-[2-[4-(oxiran-2-ylmethyl)phenyl]ethyl]fluoren-9-yl]ethyl]phenyl]methyl]oxirane is sourced from PubChem (CID 134370830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).