About diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynyltriphenylene);bis(gold(1+))
diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynyltriphenylene);bis(gold(1+)) (PubChem CID 162499734) has the molecular formula C65H46Au2P2+2
and a molecular weight of 1282.96 g/mol. Its IUPAC name is diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynyltriphenylene);bis(gold(1+)).
Molecular Properties
| Compound Name | diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynyltriphenylene);bis(gold(1+)) |
|---|
| PubChem CID | 162499734 |
|---|
| Molecular Formula | C65H46Au2P2+2 |
|---|
| Molecular Weight | 1282.96 g/mol |
|---|
| Exact Mass | 1282.24 |
|---|
| IUPAC Name | diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynyltriphenylene);bis(gold(1+)) |
|---|
| SMILES | [Au+].[Au+].[C-]#Cc1ccc2c3ccccc3c3ccccc3c2c1.[C-]#Cc1ccc2c3ccccc3c3ccccc3c2c1.c1ccc([PH+](C[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1 |
|---|
| InChI | InChI=1S/C25H22P2.2C20H11.2Au/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25;2*1-2-14-11-12-19-17-9-4-3-7-15(17)16-8-5-6-10-18(16)20(19)13-14;;/h1-20H,21H2;2*3-13H;;/q;2*-1;2*+1/p+2 |
|---|
| InChIKey | HRHCCBBCIKQTGZ-UHFFFAOYSA-P |
|---|
| XLogP | 14.84 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
|---|
| Rotatable Bonds | 6 |
|---|
| Heavy Atoms | 69 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 1282.96 |
| LogP ≤ 5 | 14.84 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
|---|
Analyze diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynyltriphenylene);bis(gold(1+)) 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 diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynyltriphenylene);bis(gold(1+))?
The IUPAC name of diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynyltriphenylene);bis(gold(1+)) (CID 162499734) is diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynyltriphenylene);bis(gold(1+)).
What is the SMILES notation for diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynyltriphenylene);bis(gold(1+))?
The canonical SMILES for diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynyltriphenylene);bis(gold(1+)) is [Au+].[Au+].[C-]#Cc1ccc2c3ccccc3c3ccccc3c2c1.[C-]#Cc1ccc2c3ccccc3c3ccccc3c2c1.c1ccc([PH+](C[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynyltriphenylene);bis(gold(1+))?
The InChIKey is HRHCCBBCIKQTGZ-UHFFFAOYSA-P. The full InChI is InChI=1S/C25H22P2.2C20H11.2Au/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25;2*1-2-14-11-12-19-17-9-4-3-7-15(17)16-8-5-6-10-18(16)20(19)13-14;;/h1-20H,21H2;2*3-13H;;/q;2*-1;2*+1/p+2.
What are the key properties of diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynyltriphenylene);bis(gold(1+))?
diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynyltriphenylene);bis(gold(1+)) has a molecular weight of 1282.96 g/mol, XLogP of 14.84, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynyltriphenylene);bis(gold(1+)) is sourced from PubChem (CID 162499734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).