About 9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine (PubChem CID 142745530) has the molecular formula C36H26N2
and a molecular weight of 486.62 g/mol. Its IUPAC name is 9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine.
Molecular Properties
| Compound Name | 9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine |
| PubChem CID | 142745530 |
| Molecular Formula | C36H26N2 |
| Molecular Weight | 486.62 g/mol |
| Exact Mass | 486.21 |
| IUPAC Name | 9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine |
| SMILES | c1ccc(-c2ccc(-c3ccc(Nc4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)cc2)cc1 |
| InChI | InChI=1S/C36H26N2/c1-3-9-26(10-4-1)27-15-17-28(18-16-27)29-19-21-30(22-20-29)37-31-23-24-34-33-13-7-8-14-35(33)38(36(34)25-31)32-11-5-2-6-12-32/h1-25,37H |
| InChIKey | RIKKFEDGTXNPAP-UHFFFAOYSA-N |
| XLogP | 9.86 |
| TPSA | 16.96 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 38 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 486.62 |
| LogP ≤ 5 | 9.86 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine?
The IUPAC name of 9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine (CID 142745530) is 9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine.
What is the SMILES notation for 9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine?
The canonical SMILES for 9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine is c1ccc(-c2ccc(-c3ccc(Nc4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)cc2)cc1.
What is the InChIKey of 9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine?
The InChIKey is RIKKFEDGTXNPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N2/c1-3-9-26(10-4-1)27-15-17-28(18-16-27)29-19-21-30(22-20-29)37-31-23-24-34-33-13-7-8-14-35(33)38(36(34)25-31)32-11-5-2-6-12-32/h1-25,37H.
What are the key properties of 9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine?
9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine has a molecular weight of 486.62 g/mol, XLogP of 9.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine is sourced from PubChem (CID 142745530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).