About 9-(6-methyl-2-pyridinyl)-2-[3-[(4-methyl-2-pyridinyl)oxy]phenyl]carbazole
9-(6-methyl-2-pyridinyl)-2-[3-[(4-methyl-2-pyridinyl)oxy]phenyl]carbazole (PubChem CID 153421943) has the molecular formula C30H23N3O
and a molecular weight of 441.53 g/mol. Its IUPAC name is 9-(6-methyl-2-pyridinyl)-2-[3-[(4-methyl-2-pyridinyl)oxy]phenyl]carbazole.
Molecular Properties
| Compound Name | 9-(6-methyl-2-pyridinyl)-2-[3-[(4-methyl-2-pyridinyl)oxy]phenyl]carbazole |
| PubChem CID | 153421943 |
| Molecular Formula | C30H23N3O |
| Molecular Weight | 441.53 g/mol |
| Exact Mass | 441.18 |
| IUPAC Name | 9-(6-methyl-2-pyridinyl)-2-[3-[(4-methyl-2-pyridinyl)oxy]phenyl]carbazole |
| SMILES | Cc1ccnc(Oc2cccc(-c3ccc4c5ccccc5n(-c5cccc(C)n5)c4c3)c2)c1 |
| InChI | InChI=1S/C30H23N3O/c1-20-15-16-31-30(17-20)34-24-9-6-8-22(18-24)23-13-14-26-25-10-3-4-11-27(25)33(28(26)19-23)29-12-5-7-21(2)32-29/h3-19H,1-2H3 |
| InChIKey | NBIPOHMZYMWUJR-UHFFFAOYSA-N |
| XLogP | 7.65 |
| TPSA | 39.94 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 34 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 441.53 |
| LogP ≤ 5 | 7.65 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of 9-(6-methyl-2-pyridinyl)-2-[3-[(4-methyl-2-pyridinyl)oxy]phenyl]carbazole?
The IUPAC name of 9-(6-methyl-2-pyridinyl)-2-[3-[(4-methyl-2-pyridinyl)oxy]phenyl]carbazole (CID 153421943) is 9-(6-methyl-2-pyridinyl)-2-[3-[(4-methyl-2-pyridinyl)oxy]phenyl]carbazole.
What is the SMILES notation for 9-(6-methyl-2-pyridinyl)-2-[3-[(4-methyl-2-pyridinyl)oxy]phenyl]carbazole?
The canonical SMILES for 9-(6-methyl-2-pyridinyl)-2-[3-[(4-methyl-2-pyridinyl)oxy]phenyl]carbazole is Cc1ccnc(Oc2cccc(-c3ccc4c5ccccc5n(-c5cccc(C)n5)c4c3)c2)c1.
What is the InChIKey of 9-(6-methyl-2-pyridinyl)-2-[3-[(4-methyl-2-pyridinyl)oxy]phenyl]carbazole?
The InChIKey is NBIPOHMZYMWUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N3O/c1-20-15-16-31-30(17-20)34-24-9-6-8-22(18-24)23-13-14-26-25-10-3-4-11-27(25)33(28(26)19-23)29-12-5-7-21(2)32-29/h3-19H,1-2H3.
What are the key properties of 9-(6-methyl-2-pyridinyl)-2-[3-[(4-methyl-2-pyridinyl)oxy]phenyl]carbazole?
9-(6-methyl-2-pyridinyl)-2-[3-[(4-methyl-2-pyridinyl)oxy]phenyl]carbazole has a molecular weight of 441.53 g/mol, XLogP of 7.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-methyl-2-pyridinyl)-2-[3-[(4-methyl-2-pyridinyl)oxy]phenyl]carbazole is sourced from PubChem (CID 153421943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).