About 2-[2-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-9-phenylcarbazole
2-[2-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-9-phenylcarbazole (PubChem CID 155454186) has the molecular formula C50H31NO
and a molecular weight of 661.80 g/mol. Its IUPAC name is 2-[2-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-9-phenylcarbazole.
Molecular Properties
| Compound Name | 2-[2-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-9-phenylcarbazole |
| PubChem CID | 155454186 |
| Molecular Formula | C50H31NO |
| Molecular Weight | 661.80 g/mol |
| Exact Mass | 661.24 |
| IUPAC Name | 2-[2-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-9-phenylcarbazole |
| SMILES | c1ccc(-n2c3ccccc3c3ccc(-c4ccccc4-c4c5ccccc5c(-c5ccc6oc7ccccc7c6c5)c5ccccc45)cc32)cc1 |
| InChI | InChI=1S/C50H31NO/c1-2-14-34(15-3-1)51-45-24-12-10-17-36(45)37-28-26-32(31-46(37)51)35-16-4-5-19-39(35)50-42-22-8-6-20-40(42)49(41-21-7-9-23-43(41)50)33-27-29-48-44(30-33)38-18-11-13-25-47(38)52-48/h1-31H |
| InChIKey | RHPZYAAPGHRHED-UHFFFAOYSA-N |
| XLogP | 13.99 |
| TPSA | 18.07 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 52 |
| Complexity | — |
Lipinski Rule of Five
2 violations
| Rule | Value |
| MW ≤ 500 | 661.80 |
| LogP ≤ 5 | 13.99 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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 2-[2-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-9-phenylcarbazole?
The IUPAC name of 2-[2-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-9-phenylcarbazole (CID 155454186) is 2-[2-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-9-phenylcarbazole.
What is the SMILES notation for 2-[2-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-9-phenylcarbazole?
The canonical SMILES for 2-[2-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3ccc(-c4ccccc4-c4c5ccccc5c(-c5ccc6oc7ccccc7c6c5)c5ccccc45)cc32)cc1.
What is the InChIKey of 2-[2-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-9-phenylcarbazole?
The InChIKey is RHPZYAAPGHRHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31NO/c1-2-14-34(15-3-1)51-45-24-12-10-17-36(45)37-28-26-32(31-46(37)51)35-16-4-5-19-39(35)50-42-22-8-6-20-40(42)49(41-21-7-9-23-43(41)50)33-27-29-48-44(30-33)38-18-11-13-25-47(38)52-48/h1-31H.
What are the key properties of 2-[2-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-9-phenylcarbazole?
2-[2-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-9-phenylcarbazole has a molecular weight of 661.80 g/mol, XLogP of 13.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-9-phenylcarbazole is sourced from PubChem (CID 155454186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).