About CID 139137651
CID 139137651 (PubChem CID 139137651) has the molecular formula C30H44GeN2
and a molecular weight of 505.31 g/mol.
Molecular Properties
| Compound Name | CID 139137651 |
| PubChem CID | 139137651 |
| Molecular Formula | C30H44GeN2 |
| Molecular Weight | 505.31 g/mol |
| Exact Mass | 506.27 |
| IUPAC Name | — |
| SMILES | C[Ge]N(/C(C)=C\C(C)=N\c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C |
| InChI | InChI=1S/C30H44GeN2/c1-19(2)25-14-12-15-26(20(3)4)29(25)32-23(9)18-24(10)33(31-11)30-27(21(5)6)16-13-17-28(30)22(7)8/h12-22H,1-11H3/b24-18-,32-23+ |
| InChIKey | UOEUDANMWZAHLY-GWBPTSGBSA-N |
| XLogP | 9.35 |
| TPSA | 15.60 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Heavy Atoms | 33 |
| Complexity | — |
Lipinski Rule of Five
2 violations
| Rule | Value |
| MW ≤ 500 | 505.31 |
| LogP ≤ 5 | 9.35 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of CID 139137651?
The IUPAC name of CID 139137651 (CID 139137651) is not available.
What is the SMILES notation for CID 139137651?
The canonical SMILES for CID 139137651 is C[Ge]N(/C(C)=C\C(C)=N\c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C.
What is the InChIKey of CID 139137651?
The InChIKey is UOEUDANMWZAHLY-GWBPTSGBSA-N. The full InChI is InChI=1S/C30H44GeN2/c1-19(2)25-14-12-15-26(20(3)4)29(25)32-23(9)18-24(10)33(31-11)30-27(21(5)6)16-13-17-28(30)22(7)8/h12-22H,1-11H3/b24-18-,32-23+.
What are the key properties of CID 139137651?
CID 139137651 has a molecular weight of 505.31 g/mol, XLogP of 9.35, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139137651 is sourced from PubChem (CID 139137651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).