About N-(3,5-difluorophenyl)-7-(9,10-dinaphthalen-1-ylanthracen-2-yl)-N-(4-pyridin-3-ylphenyl)dibenzofuran-3-amine
N-(3,5-difluorophenyl)-7-(9,10-dinaphthalen-1-ylanthracen-2-yl)-N-(4-pyridin-3-ylphenyl)dibenzofuran-3-amine (PubChem CID 90336288) has the molecular formula C63H38F2N2O
and a molecular weight of 877.01 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-7-(9,10-dinaphthalen-1-ylanthracen-2-yl)-N-(4-pyridin-3-ylphenyl)dibenzofuran-3-amine.
Molecular Properties
| Compound Name | N-(3,5-difluorophenyl)-7-(9,10-dinaphthalen-1-ylanthracen-2-yl)-N-(4-pyridin-3-ylphenyl)dibenzofuran-3-amine |
|---|
| PubChem CID | 90336288 |
|---|
| Molecular Formula | C63H38F2N2O |
|---|
| Molecular Weight | 877.01 g/mol |
|---|
| Exact Mass | 876.30 |
|---|
| IUPAC Name | N-(3,5-difluorophenyl)-7-(9,10-dinaphthalen-1-ylanthracen-2-yl)-N-(4-pyridin-3-ylphenyl)dibenzofuran-3-amine |
|---|
| SMILES | Fc1cc(F)cc(N(c2ccc(-c3cccnc3)cc2)c2ccc3c(c2)oc2cc(-c4ccc5c(-c6cccc7ccccc67)c6ccccc6c(-c6cccc7ccccc67)c5c4)ccc23)c1 |
|---|
| InChI | InChI=1S/C63H38F2N2O/c64-45-34-46(65)36-49(35-45)67(47-25-21-39(22-26-47)44-14-9-31-66-38-44)48-27-30-53-52-28-23-43(33-60(52)68-61(53)37-48)42-24-29-58-59(32-42)63(55-20-8-13-41-11-2-4-16-51(41)55)57-18-6-5-17-56(57)62(58)54-19-7-12-40-10-1-3-15-50(40)54/h1-38H |
|---|
| InChIKey | SVCDEFAZEHMYSP-UHFFFAOYSA-N |
|---|
| XLogP | 18.01 |
|---|
| TPSA | 29.27 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 3 |
|---|
| Rotatable Bonds | 7 |
|---|
| Heavy Atoms | 68 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 877.01 |
| LogP ≤ 5 | 18.01 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
|---|
Analyze N-(3,5-difluorophenyl)-7-(9,10-dinaphthalen-1-ylanthracen-2-yl)-N-(4-pyridin-3-ylphenyl)dibenzofuran-3-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-(3,5-difluorophenyl)-7-(9,10-dinaphthalen-1-ylanthracen-2-yl)-N-(4-pyridin-3-ylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-(3,5-difluorophenyl)-7-(9,10-dinaphthalen-1-ylanthracen-2-yl)-N-(4-pyridin-3-ylphenyl)dibenzofuran-3-amine (CID 90336288) is N-(3,5-difluorophenyl)-7-(9,10-dinaphthalen-1-ylanthracen-2-yl)-N-(4-pyridin-3-ylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-(3,5-difluorophenyl)-7-(9,10-dinaphthalen-1-ylanthracen-2-yl)-N-(4-pyridin-3-ylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-(3,5-difluorophenyl)-7-(9,10-dinaphthalen-1-ylanthracen-2-yl)-N-(4-pyridin-3-ylphenyl)dibenzofuran-3-amine is Fc1cc(F)cc(N(c2ccc(-c3cccnc3)cc2)c2ccc3c(c2)oc2cc(-c4ccc5c(-c6cccc7ccccc67)c6ccccc6c(-c6cccc7ccccc67)c5c4)ccc23)c1.
What is the InChIKey of N-(3,5-difluorophenyl)-7-(9,10-dinaphthalen-1-ylanthracen-2-yl)-N-(4-pyridin-3-ylphenyl)dibenzofuran-3-amine?
The InChIKey is SVCDEFAZEHMYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H38F2N2O/c64-45-34-46(65)36-49(35-45)67(47-25-21-39(22-26-47)44-14-9-31-66-38-44)48-27-30-53-52-28-23-43(33-60(52)68-61(53)37-48)42-24-29-58-59(32-42)63(55-20-8-13-41-11-2-4-16-51(41)55)57-18-6-5-17-56(57)62(58)54-19-7-12-40-10-1-3-15-50(40)54/h1-38H.
What are the key properties of N-(3,5-difluorophenyl)-7-(9,10-dinaphthalen-1-ylanthracen-2-yl)-N-(4-pyridin-3-ylphenyl)dibenzofuran-3-amine?
N-(3,5-difluorophenyl)-7-(9,10-dinaphthalen-1-ylanthracen-2-yl)-N-(4-pyridin-3-ylphenyl)dibenzofuran-3-amine has a molecular weight of 877.01 g/mol, XLogP of 18.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-7-(9,10-dinaphthalen-1-ylanthracen-2-yl)-N-(4-pyridin-3-ylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 90336288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).