About 2,15-bis(azidomethyl)hexahelicene
2,15-bis(azidomethyl)hexahelicene (PubChem CID 122363421) has the molecular formula C28H18N6
and a molecular weight of 438.49 g/mol. Its IUPAC name is 2,15-bis(azidomethyl)hexahelicene.
Molecular Properties
| Compound Name | 2,15-bis(azidomethyl)hexahelicene |
|---|
| PubChem CID | 122363421 |
|---|
| Molecular Formula | C28H18N6 |
|---|
| Molecular Weight | 438.49 g/mol |
|---|
| Exact Mass | 438.16 |
|---|
| IUPAC Name | 2,15-bis(azidomethyl)hexahelicene |
|---|
| SMILES | [N-]=[N+]=NCc1ccc2ccc3ccc4ccc5ccc6ccc(CN=[N+]=[N-])cc6c5c4c3c2c1 |
|---|
| InChI | InChI=1S/C28H18N6/c29-33-31-15-17-1-3-19-5-7-21-9-11-23-12-10-22-8-6-20-4-2-18(16-32-34-30)14-25(20)27(22)28(23)26(21)24(19)13-17/h1-14H,15-16H2 |
|---|
| InChIKey | OGYDGBCAVQJXST-UHFFFAOYSA-N |
|---|
| XLogP | 9.07 |
|---|
| TPSA | 97.52 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 2 |
|---|
| Rotatable Bonds | 4 |
|---|
| Heavy Atoms | 34 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 438.49 |
| LogP ≤ 5 | 9.07 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'} |
|---|
Analyze 2,15-bis(azidomethyl)hexahelicene 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 2,15-bis(azidomethyl)hexahelicene?
The IUPAC name of 2,15-bis(azidomethyl)hexahelicene (CID 122363421) is 2,15-bis(azidomethyl)hexahelicene.
What is the SMILES notation for 2,15-bis(azidomethyl)hexahelicene?
The canonical SMILES for 2,15-bis(azidomethyl)hexahelicene is [N-]=[N+]=NCc1ccc2ccc3ccc4ccc5ccc6ccc(CN=[N+]=[N-])cc6c5c4c3c2c1.
What is the InChIKey of 2,15-bis(azidomethyl)hexahelicene?
The InChIKey is OGYDGBCAVQJXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N6/c29-33-31-15-17-1-3-19-5-7-21-9-11-23-12-10-22-8-6-20-4-2-18(16-32-34-30)14-25(20)27(22)28(23)26(21)24(19)13-17/h1-14H,15-16H2.
What are the key properties of 2,15-bis(azidomethyl)hexahelicene?
2,15-bis(azidomethyl)hexahelicene has a molecular weight of 438.49 g/mol, XLogP of 9.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,15-bis(azidomethyl)hexahelicene is sourced from PubChem (CID 122363421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).