About azane;benzhydrylbenzene
azane;benzhydrylbenzene (PubChem CID 70581647) has the molecular formula C19H22N2
and a molecular weight of 278.40 g/mol. Its IUPAC name is azane;benzhydrylbenzene.
Molecular Properties
| Compound Name | azane;benzhydrylbenzene |
| PubChem CID | 70581647 |
| Molecular Formula | C19H22N2 |
| Molecular Weight | 278.40 g/mol |
| Exact Mass | 278.18 |
| IUPAC Name | azane;benzhydrylbenzene |
| SMILES | N.N.c1ccc(C(c2ccccc2)c2ccccc2)cc1 |
| InChI | InChI=1S/C19H16.2H3N/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h1-15,19H;2*1H3 |
| InChIKey | PSZSPTAYLPJEBF-UHFFFAOYSA-N |
| XLogP | 5.19 |
| TPSA | 70.00 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 21 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 278.40 |
| LogP ≤ 5 | 5.19 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of azane;benzhydrylbenzene?
The IUPAC name of azane;benzhydrylbenzene (CID 70581647) is azane;benzhydrylbenzene.
What is the SMILES notation for azane;benzhydrylbenzene?
The canonical SMILES for azane;benzhydrylbenzene is N.N.c1ccc(C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of azane;benzhydrylbenzene?
The InChIKey is PSZSPTAYLPJEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16.2H3N/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h1-15,19H;2*1H3.
What are the key properties of azane;benzhydrylbenzene?
azane;benzhydrylbenzene has a molecular weight of 278.40 g/mol, XLogP of 5.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;benzhydrylbenzene is sourced from PubChem (CID 70581647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).