About N-(4-methoxyphenyl)-N-[4-[9-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]fluoren-9-yl]phenyl]naphthalen-1-amine
N-(4-methoxyphenyl)-N-[4-[9-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]fluoren-9-yl]phenyl]naphthalen-1-amine (PubChem CID 59413553) has the molecular formula C60H41N3O
and a molecular weight of 820.01 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-[4-[9-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]fluoren-9-yl]phenyl]naphthalen-1-amine.
Molecular Properties
| Compound Name | N-(4-methoxyphenyl)-N-[4-[9-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]fluoren-9-yl]phenyl]naphthalen-1-amine |
|---|
| PubChem CID | 59413553 |
|---|
| Molecular Formula | C60H41N3O |
|---|
| Molecular Weight | 820.01 g/mol |
|---|
| Exact Mass | 819.32 |
|---|
| IUPAC Name | N-(4-methoxyphenyl)-N-[4-[9-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]fluoren-9-yl]phenyl]naphthalen-1-amine |
|---|
| SMILES | COc1ccc(N(c2ccc(C3(c4cccc(-c5ccc(-c6ccc7ccc8cccnc8c7n6)cc5)c4)c4ccccc4-c4ccccc43)cc2)c2cccc3ccccc23)cc1 |
|---|
| InChI | InChI=1S/C60H41N3O/c1-64-50-35-33-49(34-36-50)63(57-21-9-12-41-11-2-3-16-51(41)57)48-31-29-46(30-32-48)60(54-19-6-4-17-52(54)53-18-5-7-20-55(53)60)47-15-8-13-45(39-47)40-22-24-42(25-23-40)56-37-28-44-27-26-43-14-10-38-61-58(43)59(44)62-56/h2-39H,1H3 |
|---|
| InChIKey | NDJUFGYKFNIKLU-UHFFFAOYSA-N |
|---|
| XLogP | 15.11 |
|---|
| TPSA | 38.25 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 4 |
|---|
| Rotatable Bonds | 8 |
|---|
| Heavy Atoms | 64 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 820.01 |
| LogP ≤ 5 | 15.11 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
|---|
Analyze N-(4-methoxyphenyl)-N-[4-[9-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]fluoren-9-yl]phenyl]naphthalen-1-amine with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of N-(4-methoxyphenyl)-N-[4-[9-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]fluoren-9-yl]phenyl]naphthalen-1-amine?
The IUPAC name of N-(4-methoxyphenyl)-N-[4-[9-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]fluoren-9-yl]phenyl]naphthalen-1-amine (CID 59413553) is N-(4-methoxyphenyl)-N-[4-[9-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]fluoren-9-yl]phenyl]naphthalen-1-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-N-[4-[9-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]fluoren-9-yl]phenyl]naphthalen-1-amine?
The canonical SMILES for N-(4-methoxyphenyl)-N-[4-[9-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]fluoren-9-yl]phenyl]naphthalen-1-amine is COc1ccc(N(c2ccc(C3(c4cccc(-c5ccc(-c6ccc7ccc8cccnc8c7n6)cc5)c4)c4ccccc4-c4ccccc43)cc2)c2cccc3ccccc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-[4-[9-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]fluoren-9-yl]phenyl]naphthalen-1-amine?
The InChIKey is NDJUFGYKFNIKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N3O/c1-64-50-35-33-49(34-36-50)63(57-21-9-12-41-11-2-3-16-51(41)57)48-31-29-46(30-32-48)60(54-19-6-4-17-52(54)53-18-5-7-20-55(53)60)47-15-8-13-45(39-47)40-22-24-42(25-23-40)56-37-28-44-27-26-43-14-10-38-61-58(43)59(44)62-56/h2-39H,1H3.
What are the key properties of N-(4-methoxyphenyl)-N-[4-[9-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]fluoren-9-yl]phenyl]naphthalen-1-amine?
N-(4-methoxyphenyl)-N-[4-[9-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]fluoren-9-yl]phenyl]naphthalen-1-amine has a molecular weight of 820.01 g/mol, XLogP of 15.11, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-[4-[9-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]fluoren-9-yl]phenyl]naphthalen-1-amine is sourced from PubChem (CID 59413553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).