About N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)-7-(4-phenylphenyl)naphthalen-2-amine
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)-7-(4-phenylphenyl)naphthalen-2-amine (PubChem CID 174277043) has the molecular formula C62H42N2
and a molecular weight of 815.03 g/mol. Its IUPAC name is N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)-7-(4-phenylphenyl)naphthalen-2-amine.
Molecular Properties
| Compound Name | N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)-7-(4-phenylphenyl)naphthalen-2-amine |
| PubChem CID | 174277043 |
| Molecular Formula | C62H42N2 |
| Molecular Weight | 815.03 g/mol |
| Exact Mass | 814.33 |
| IUPAC Name | N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)-7-(4-phenylphenyl)naphthalen-2-amine |
| SMILES | c1ccc(-c2ccc(-c3ccc4ccc(N(c5ccc(-c6ccccc6-n6c7ccccc7c7ccccc76)cc5)c5cccc(-c6ccc7ccccc7c6)c5)cc4c3)cc2)cc1 |
| InChI | InChI=1S/C62H42N2/c1-2-13-43(14-3-1)45-25-27-46(28-26-45)51-31-30-47-33-38-56(42-53(47)40-51)63(55-18-12-17-50(41-55)52-32-29-44-15-4-5-16-49(44)39-52)54-36-34-48(35-37-54)57-19-6-9-22-60(57)64-61-23-10-7-20-58(61)59-21-8-11-24-62(59)64/h1-42H |
| InChIKey | FMVIBPTUVXFYGR-UHFFFAOYSA-N |
| XLogP | 17.23 |
| TPSA | 8.17 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Heavy Atoms | 64 |
| Complexity | — |
Lipinski Rule of Five
2 violations
| Rule | Value |
| MW ≤ 500 | 815.03 |
| LogP ≤ 5 | 17.23 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)-7-(4-phenylphenyl)naphthalen-2-amine?
The IUPAC name of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)-7-(4-phenylphenyl)naphthalen-2-amine (CID 174277043) is N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)-7-(4-phenylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)-7-(4-phenylphenyl)naphthalen-2-amine?
The canonical SMILES for N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)-7-(4-phenylphenyl)naphthalen-2-amine is c1ccc(-c2ccc(-c3ccc4ccc(N(c5ccc(-c6ccccc6-n6c7ccccc7c7ccccc76)cc5)c5cccc(-c6ccc7ccccc7c6)c5)cc4c3)cc2)cc1.
What is the InChIKey of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)-7-(4-phenylphenyl)naphthalen-2-amine?
The InChIKey is FMVIBPTUVXFYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42N2/c1-2-13-43(14-3-1)45-25-27-46(28-26-45)51-31-30-47-33-38-56(42-53(47)40-51)63(55-18-12-17-50(41-55)52-32-29-44-15-4-5-16-49(44)39-52)54-36-34-48(35-37-54)57-19-6-9-22-60(57)64-61-23-10-7-20-58(61)59-21-8-11-24-62(59)64/h1-42H.
What are the key properties of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)-7-(4-phenylphenyl)naphthalen-2-amine?
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)-7-(4-phenylphenyl)naphthalen-2-amine has a molecular weight of 815.03 g/mol, XLogP of 17.23, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)-7-(4-phenylphenyl)naphthalen-2-amine is sourced from PubChem (CID 174277043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).