About 2-dibenzofuran-2-yl-12,12-dimethyl-5-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]indeno[1,2-c]carbazole
2-dibenzofuran-2-yl-12,12-dimethyl-5-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]indeno[1,2-c]carbazole (PubChem CID 67701871) has the molecular formula C59H39N3O
and a molecular weight of 805.98 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-12,12-dimethyl-5-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]indeno[1,2-c]carbazole.
Molecular Properties
| Compound Name | 2-dibenzofuran-2-yl-12,12-dimethyl-5-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]indeno[1,2-c]carbazole |
|---|
| PubChem CID | 67701871 |
|---|
| Molecular Formula | C59H39N3O |
|---|
| Molecular Weight | 805.98 g/mol |
|---|
| Exact Mass | 805.31 |
|---|
| IUPAC Name | 2-dibenzofuran-2-yl-12,12-dimethyl-5-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]indeno[1,2-c]carbazole |
|---|
| SMILES | CC1(C)c2ccccc2-c2ccc3c(c21)c1cc(-c2ccc4oc5ccccc5c4c2)ccc1n3-c1nc(-c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c2ccccc2n1 |
|---|
| InChI | InChI=1S/C59H39N3O/c1-59(2)49-17-9-6-14-43(49)45-30-32-52-55(56(45)59)48-35-41(42-29-33-54-47(34-42)44-15-8-11-19-53(44)63-54)28-31-51(48)62(52)58-60-50-18-10-7-16-46(50)57(61-58)40-26-24-39(25-27-40)38-22-20-37(21-23-38)36-12-4-3-5-13-36/h3-35H,1-2H3 |
|---|
| InChIKey | TYYMEVPQFMFDKO-UHFFFAOYSA-N |
|---|
| XLogP | 15.60 |
|---|
| TPSA | 43.85 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 4 |
|---|
| Rotatable Bonds | 5 |
|---|
| Heavy Atoms | 63 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 805.98 |
| LogP ≤ 5 | 15.60 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
Analyze 2-dibenzofuran-2-yl-12,12-dimethyl-5-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]indeno[1,2-c]carbazole 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 2-dibenzofuran-2-yl-12,12-dimethyl-5-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]indeno[1,2-c]carbazole?
The IUPAC name of 2-dibenzofuran-2-yl-12,12-dimethyl-5-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]indeno[1,2-c]carbazole (CID 67701871) is 2-dibenzofuran-2-yl-12,12-dimethyl-5-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]indeno[1,2-c]carbazole.
What is the SMILES notation for 2-dibenzofuran-2-yl-12,12-dimethyl-5-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]indeno[1,2-c]carbazole?
The canonical SMILES for 2-dibenzofuran-2-yl-12,12-dimethyl-5-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]indeno[1,2-c]carbazole is CC1(C)c2ccccc2-c2ccc3c(c21)c1cc(-c2ccc4oc5ccccc5c4c2)ccc1n3-c1nc(-c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c2ccccc2n1.
What is the InChIKey of 2-dibenzofuran-2-yl-12,12-dimethyl-5-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]indeno[1,2-c]carbazole?
The InChIKey is TYYMEVPQFMFDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39N3O/c1-59(2)49-17-9-6-14-43(49)45-30-32-52-55(56(45)59)48-35-41(42-29-33-54-47(34-42)44-15-8-11-19-53(44)63-54)28-31-51(48)62(52)58-60-50-18-10-7-16-46(50)57(61-58)40-26-24-39(25-27-40)38-22-20-37(21-23-38)36-12-4-3-5-13-36/h3-35H,1-2H3.
What are the key properties of 2-dibenzofuran-2-yl-12,12-dimethyl-5-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]indeno[1,2-c]carbazole?
2-dibenzofuran-2-yl-12,12-dimethyl-5-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]indeno[1,2-c]carbazole has a molecular weight of 805.98 g/mol, XLogP of 15.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-12,12-dimethyl-5-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]indeno[1,2-c]carbazole is sourced from PubChem (CID 67701871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).