About bis((Z)-but-2-ene);ethane;4-methyldibenzofuran;2-methyl-9-(2-phenylquinazolin-4-yl)carbazole
bis((Z)-but-2-ene);ethane;4-methyldibenzofuran;2-methyl-9-(2-phenylquinazolin-4-yl)carbazole (PubChem CID 144884346) has the molecular formula C54H63N3O
and a molecular weight of 770.12 g/mol. Its IUPAC name is bis((Z)-but-2-ene);ethane;4-methyldibenzofuran;2-methyl-9-(2-phenylquinazolin-4-yl)carbazole.
Molecular Properties
| Compound Name | bis((Z)-but-2-ene);ethane;4-methyldibenzofuran;2-methyl-9-(2-phenylquinazolin-4-yl)carbazole |
|---|
| PubChem CID | 144884346 |
|---|
| Molecular Formula | C54H63N3O |
|---|
| Molecular Weight | 770.12 g/mol |
|---|
| Exact Mass | 769.50 |
|---|
| IUPAC Name | bis((Z)-but-2-ene);ethane;4-methyldibenzofuran;2-methyl-9-(2-phenylquinazolin-4-yl)carbazole |
|---|
| SMILES | C/C=C\C.C/C=C\C.CC.CC.CC.Cc1ccc2c3ccccc3n(-c3nc(-c4ccccc4)nc4ccccc34)c2c1.Cc1cccc2c1oc1ccccc12 |
|---|
| InChI | InChI=1S/C27H19N3.C13H10O.2C4H8.3C2H6/c1-18-15-16-21-20-11-6-8-14-24(20)30(25(21)17-18)27-22-12-5-7-13-23(22)28-26(29-27)19-9-3-2-4-10-19;1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;2*1-3-4-2;3*1-2/h2-17H,1H3;2-8H,1H3;2*3-4H,1-2H3;3*1-2H3/b;;2*4-3-;;; |
|---|
| InChIKey | UUXBPIMEDOKFMI-WIVWRBNZSA-N |
|---|
| XLogP | 16.84 |
|---|
| TPSA | 43.85 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 4 |
|---|
| Rotatable Bonds | 2 |
|---|
| Heavy Atoms | 58 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 770.12 |
| LogP ≤ 5 | 16.84 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
|---|
Analyze bis((Z)-but-2-ene);ethane;4-methyldibenzofuran;2-methyl-9-(2-phenylquinazolin-4-yl)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 bis((Z)-but-2-ene);ethane;4-methyldibenzofuran;2-methyl-9-(2-phenylquinazolin-4-yl)carbazole?
The IUPAC name of bis((Z)-but-2-ene);ethane;4-methyldibenzofuran;2-methyl-9-(2-phenylquinazolin-4-yl)carbazole (CID 144884346) is bis((Z)-but-2-ene);ethane;4-methyldibenzofuran;2-methyl-9-(2-phenylquinazolin-4-yl)carbazole.
What is the SMILES notation for bis((Z)-but-2-ene);ethane;4-methyldibenzofuran;2-methyl-9-(2-phenylquinazolin-4-yl)carbazole?
The canonical SMILES for bis((Z)-but-2-ene);ethane;4-methyldibenzofuran;2-methyl-9-(2-phenylquinazolin-4-yl)carbazole is C/C=C\C.C/C=C\C.CC.CC.CC.Cc1ccc2c3ccccc3n(-c3nc(-c4ccccc4)nc4ccccc34)c2c1.Cc1cccc2c1oc1ccccc12.
What is the InChIKey of bis((Z)-but-2-ene);ethane;4-methyldibenzofuran;2-methyl-9-(2-phenylquinazolin-4-yl)carbazole?
The InChIKey is UUXBPIMEDOKFMI-WIVWRBNZSA-N. The full InChI is InChI=1S/C27H19N3.C13H10O.2C4H8.3C2H6/c1-18-15-16-21-20-11-6-8-14-24(20)30(25(21)17-18)27-22-12-5-7-13-23(22)28-26(29-27)19-9-3-2-4-10-19;1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;2*1-3-4-2;3*1-2/h2-17H,1H3;2-8H,1H3;2*3-4H,1-2H3;3*1-2H3/b;;2*4-3-;;;.
What are the key properties of bis((Z)-but-2-ene);ethane;4-methyldibenzofuran;2-methyl-9-(2-phenylquinazolin-4-yl)carbazole?
bis((Z)-but-2-ene);ethane;4-methyldibenzofuran;2-methyl-9-(2-phenylquinazolin-4-yl)carbazole has a molecular weight of 770.12 g/mol, XLogP of 16.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis((Z)-but-2-ene);ethane;4-methyldibenzofuran;2-methyl-9-(2-phenylquinazolin-4-yl)carbazole is sourced from PubChem (CID 144884346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).