About 4-dibenzofuran-2-yl-7-dibenzofuran-4-yl-9-dibenzothiophen-2-yl-2-phenylpyrido[3,2-h]quinazoline
4-dibenzofuran-2-yl-7-dibenzofuran-4-yl-9-dibenzothiophen-2-yl-2-phenylpyrido[3,2-h]quinazoline (PubChem CID 123297073) has the molecular formula C53H29N3O2S
and a molecular weight of 771.90 g/mol. Its IUPAC name is 4-dibenzofuran-2-yl-7-dibenzofuran-4-yl-9-dibenzothiophen-2-yl-2-phenylpyrido[3,2-h]quinazoline.
Molecular Properties
| Compound Name | 4-dibenzofuran-2-yl-7-dibenzofuran-4-yl-9-dibenzothiophen-2-yl-2-phenylpyrido[3,2-h]quinazoline |
|---|
| PubChem CID | 123297073 |
|---|
| Molecular Formula | C53H29N3O2S |
|---|
| Molecular Weight | 771.90 g/mol |
|---|
| Exact Mass | 771.20 |
|---|
| IUPAC Name | 4-dibenzofuran-2-yl-7-dibenzofuran-4-yl-9-dibenzothiophen-2-yl-2-phenylpyrido[3,2-h]quinazoline |
|---|
| SMILES | c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)c3ccc4c(-c5cccc6c5oc5ccccc56)cc(-c5ccc6sc7ccccc7c6c5)nc4c3n2)cc1 |
|---|
| InChI | InChI=1S/C53H29N3O2S/c1-2-11-30(12-3-1)53-55-49(32-21-25-46-41(28-32)34-14-5-7-18-44(34)57-46)39-24-23-36-40(38-17-10-16-37-33-13-4-8-19-45(33)58-52(37)38)29-43(54-50(36)51(39)56-53)31-22-26-48-42(27-31)35-15-6-9-20-47(35)59-48/h1-29H |
|---|
| InChIKey | LFLMICWYHYTXQW-UHFFFAOYSA-N |
|---|
| XLogP | 15.01 |
|---|
| TPSA | 64.95 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 6 |
|---|
| Rotatable Bonds | 4 |
|---|
| Heavy Atoms | 59 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 771.90 |
| LogP ≤ 5 | 15.01 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
|---|
Analyze 4-dibenzofuran-2-yl-7-dibenzofuran-4-yl-9-dibenzothiophen-2-yl-2-phenylpyrido[3,2-h]quinazoline 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 4-dibenzofuran-2-yl-7-dibenzofuran-4-yl-9-dibenzothiophen-2-yl-2-phenylpyrido[3,2-h]quinazoline?
The IUPAC name of 4-dibenzofuran-2-yl-7-dibenzofuran-4-yl-9-dibenzothiophen-2-yl-2-phenylpyrido[3,2-h]quinazoline (CID 123297073) is 4-dibenzofuran-2-yl-7-dibenzofuran-4-yl-9-dibenzothiophen-2-yl-2-phenylpyrido[3,2-h]quinazoline.
What is the SMILES notation for 4-dibenzofuran-2-yl-7-dibenzofuran-4-yl-9-dibenzothiophen-2-yl-2-phenylpyrido[3,2-h]quinazoline?
The canonical SMILES for 4-dibenzofuran-2-yl-7-dibenzofuran-4-yl-9-dibenzothiophen-2-yl-2-phenylpyrido[3,2-h]quinazoline is c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)c3ccc4c(-c5cccc6c5oc5ccccc56)cc(-c5ccc6sc7ccccc7c6c5)nc4c3n2)cc1.
What is the InChIKey of 4-dibenzofuran-2-yl-7-dibenzofuran-4-yl-9-dibenzothiophen-2-yl-2-phenylpyrido[3,2-h]quinazoline?
The InChIKey is LFLMICWYHYTXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H29N3O2S/c1-2-11-30(12-3-1)53-55-49(32-21-25-46-41(28-32)34-14-5-7-18-44(34)57-46)39-24-23-36-40(38-17-10-16-37-33-13-4-8-19-45(33)58-52(37)38)29-43(54-50(36)51(39)56-53)31-22-26-48-42(27-31)35-15-6-9-20-47(35)59-48/h1-29H.
What are the key properties of 4-dibenzofuran-2-yl-7-dibenzofuran-4-yl-9-dibenzothiophen-2-yl-2-phenylpyrido[3,2-h]quinazoline?
4-dibenzofuran-2-yl-7-dibenzofuran-4-yl-9-dibenzothiophen-2-yl-2-phenylpyrido[3,2-h]quinazoline has a molecular weight of 771.90 g/mol, XLogP of 15.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-2-yl-7-dibenzofuran-4-yl-9-dibenzothiophen-2-yl-2-phenylpyrido[3,2-h]quinazoline is sourced from PubChem (CID 123297073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).