About 2-[2-(9H-carbazol-1-yl)-6-pyridin-2-ylphenyl]phenol
2-[2-(9H-carbazol-1-yl)-6-pyridin-2-ylphenyl]phenol (PubChem CID 141226515) has the molecular formula C29H20N2O
and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-[2-(9H-carbazol-1-yl)-6-pyridin-2-ylphenyl]phenol.
Molecular Properties
| Compound Name | 2-[2-(9H-carbazol-1-yl)-6-pyridin-2-ylphenyl]phenol |
| PubChem CID | 141226515 |
| Molecular Formula | C29H20N2O |
| Molecular Weight | 412.49 g/mol |
| Exact Mass | 412.16 |
| IUPAC Name | 2-[2-(9H-carbazol-1-yl)-6-pyridin-2-ylphenyl]phenol |
| SMILES | Oc1ccccc1-c1c(-c2ccccn2)cccc1-c1cccc2c1[nH]c1ccccc12 |
| InChI | InChI=1S/C29H20N2O/c32-27-17-4-2-10-24(27)28-20(11-7-14-23(28)25-15-5-6-18-30-25)22-13-8-12-21-19-9-1-3-16-26(19)31-29(21)22/h1-18,31-32H |
| InChIKey | NPSZVZSCEDYVIT-UHFFFAOYSA-N |
| XLogP | 7.42 |
| TPSA | 48.91 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 32 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 412.49 |
| LogP ≤ 5 | 7.42 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 2-[2-(9H-carbazol-1-yl)-6-pyridin-2-ylphenyl]phenol?
The IUPAC name of 2-[2-(9H-carbazol-1-yl)-6-pyridin-2-ylphenyl]phenol (CID 141226515) is 2-[2-(9H-carbazol-1-yl)-6-pyridin-2-ylphenyl]phenol.
What is the SMILES notation for 2-[2-(9H-carbazol-1-yl)-6-pyridin-2-ylphenyl]phenol?
The canonical SMILES for 2-[2-(9H-carbazol-1-yl)-6-pyridin-2-ylphenyl]phenol is Oc1ccccc1-c1c(-c2ccccn2)cccc1-c1cccc2c1[nH]c1ccccc12.
What is the InChIKey of 2-[2-(9H-carbazol-1-yl)-6-pyridin-2-ylphenyl]phenol?
The InChIKey is NPSZVZSCEDYVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N2O/c32-27-17-4-2-10-24(27)28-20(11-7-14-23(28)25-15-5-6-18-30-25)22-13-8-12-21-19-9-1-3-16-26(19)31-29(21)22/h1-18,31-32H.
What are the key properties of 2-[2-(9H-carbazol-1-yl)-6-pyridin-2-ylphenyl]phenol?
2-[2-(9H-carbazol-1-yl)-6-pyridin-2-ylphenyl]phenol has a molecular weight of 412.49 g/mol, XLogP of 7.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(9H-carbazol-1-yl)-6-pyridin-2-ylphenyl]phenol is sourced from PubChem (CID 141226515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).