About 9-(4-tritylphenyl)carbazole
9-(4-tritylphenyl)carbazole (PubChem CID 162500226) has the molecular formula C37H27N
and a molecular weight of 485.63 g/mol. Its IUPAC name is 9-(4-tritylphenyl)carbazole.
Molecular Properties
| Compound Name | 9-(4-tritylphenyl)carbazole |
| PubChem CID | 162500226 |
| Molecular Formula | C37H27N |
| Molecular Weight | 485.63 g/mol |
| Exact Mass | 485.21 |
| IUPAC Name | 9-(4-tritylphenyl)carbazole |
| SMILES | c1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1 |
| InChI | InChI=1S/C37H27N/c1-4-14-28(15-5-1)37(29-16-6-2-7-17-29,30-18-8-3-9-19-30)31-24-26-32(27-25-31)38-35-22-12-10-20-33(35)34-21-11-13-23-36(34)38/h1-27H |
| InChIKey | JXJYRYJXSOAMJZ-UHFFFAOYSA-N |
| XLogP | 9.17 |
| TPSA | 4.93 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 38 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 485.63 |
| LogP ≤ 5 | 9.17 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 9-(4-tritylphenyl)carbazole?
The IUPAC name of 9-(4-tritylphenyl)carbazole (CID 162500226) is 9-(4-tritylphenyl)carbazole.
What is the SMILES notation for 9-(4-tritylphenyl)carbazole?
The canonical SMILES for 9-(4-tritylphenyl)carbazole is c1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.
What is the InChIKey of 9-(4-tritylphenyl)carbazole?
The InChIKey is JXJYRYJXSOAMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27N/c1-4-14-28(15-5-1)37(29-16-6-2-7-17-29,30-18-8-3-9-19-30)31-24-26-32(27-25-31)38-35-22-12-10-20-33(35)34-21-11-13-23-36(34)38/h1-27H.
What are the key properties of 9-(4-tritylphenyl)carbazole?
9-(4-tritylphenyl)carbazole has a molecular weight of 485.63 g/mol, XLogP of 9.17, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tritylphenyl)carbazole is sourced from PubChem (CID 162500226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).