About (2-dimethylphosphaniumylphenyl)-dimethylphosphanium;(2-dimethylphosphaniumylphenyl)-diphenylphosphanium;hexakis(9-ethynylanthracene);hexakis(gold(1+));methyl-[2-[methyl(phenyl)phosphaniumyl]phenyl]-phenylphosphanium
(2-dimethylphosphaniumylphenyl)-dimethylphosphanium;(2-dimethylphosphaniumylphenyl)-diphenylphosphanium;hexakis(9-ethynylanthracene);hexakis(gold(1+));methyl-[2-[methyl(phenyl)phosphaniumyl]phenyl]-phenylphosphanium (PubChem CID 163755412) has the molecular formula C146H116Au6P6+6
and a molecular weight of 3238.18 g/mol. Its IUPAC name is (2-dimethylphosphaniumylphenyl)-dimethylphosphanium;(2-dimethylphosphaniumylphenyl)-diphenylphosphanium;hexakis(9-ethynylanthracene);hexakis(gold(1+));methyl-[2-[methyl(phenyl)phosphaniumyl]phenyl]-phenylphosphanium.
Molecular Properties
| Compound Name | (2-dimethylphosphaniumylphenyl)-dimethylphosphanium;(2-dimethylphosphaniumylphenyl)-diphenylphosphanium;hexakis(9-ethynylanthracene);hexakis(gold(1+));methyl-[2-[methyl(phenyl)phosphaniumyl]phenyl]-phenylphosphanium |
| PubChem CID | 163755412 |
| Molecular Formula | C146H116Au6P6+6 |
| Molecular Weight | 3238.18 g/mol |
| Exact Mass | 3236.55 |
| IUPAC Name | (2-dimethylphosphaniumylphenyl)-dimethylphosphanium;(2-dimethylphosphaniumylphenyl)-diphenylphosphanium;hexakis(9-ethynylanthracene);hexakis(gold(1+));methyl-[2-[methyl(phenyl)phosphaniumyl]phenyl]-phenylphosphanium |
| SMILES | C[PH+](C)c1ccccc1[PH+](C)C.C[PH+](C)c1ccccc1[PH+](c1ccccc1)c1ccccc1.C[PH+](c1ccccc1)c1ccccc1[PH+](C)c1ccccc1.[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[C-]#Cc1c2ccccc2cc2ccccc12.[C-]#Cc1c2ccccc2cc2ccccc12.[C-]#Cc1c2ccccc2cc2ccccc12.[C-]#Cc1c2ccccc2cc2ccccc12.[C-]#Cc1c2ccccc2cc2ccccc12.[C-]#Cc1c2ccccc2cc2ccccc12 |
| InChI | InChI=1S/2C20H20P2.6C16H9.C10H16P2.6Au/c1-21(17-11-5-3-6-12-17)19-15-9-10-16-20(19)22(2)18-13-7-4-8-14-18;1-21(2)19-15-9-10-16-20(19)22(17-11-5-3-6-12-17)18-13-7-4-8-14-18;6*1-2-14-15-9-5-3-7-12(15)11-13-8-4-6-10-16(13)14;1-11(2)9-7-5-6-8-10(9)12(3)4;;;;;;/h2*3-16H,1-2H3;6*3-11H;5-8H,1-4H3;;;;;;/q;;6*-1;;6*+1/p+6 |
| InChIKey | OPKCTKVNFVOQPS-UHFFFAOYSA-T |
| XLogP | 32.01 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 10 |
| Heavy Atoms | 158 |
| Complexity | — |
Lipinski Rule of Five
2 violations
| Rule | Value |
| MW ≤ 500 | 3238.18 |
| LogP ≤ 5 | 32.01 |
| 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_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (2-dimethylphosphaniumylphenyl)-dimethylphosphanium;(2-dimethylphosphaniumylphenyl)-diphenylphosphanium;hexakis(9-ethynylanthracene);hexakis(gold(1+));methyl-[2-[methyl(phenyl)phosphaniumyl]phenyl]-phenylphosphanium?
The IUPAC name of (2-dimethylphosphaniumylphenyl)-dimethylphosphanium;(2-dimethylphosphaniumylphenyl)-diphenylphosphanium;hexakis(9-ethynylanthracene);hexakis(gold(1+));methyl-[2-[methyl(phenyl)phosphaniumyl]phenyl]-phenylphosphanium (CID 163755412) is (2-dimethylphosphaniumylphenyl)-dimethylphosphanium;(2-dimethylphosphaniumylphenyl)-diphenylphosphanium;hexakis(9-ethynylanthracene);hexakis(gold(1+));methyl-[2-[methyl(phenyl)phosphaniumyl]phenyl]-phenylphosphanium.
What is the SMILES notation for (2-dimethylphosphaniumylphenyl)-dimethylphosphanium;(2-dimethylphosphaniumylphenyl)-diphenylphosphanium;hexakis(9-ethynylanthracene);hexakis(gold(1+));methyl-[2-[methyl(phenyl)phosphaniumyl]phenyl]-phenylphosphanium?
The canonical SMILES for (2-dimethylphosphaniumylphenyl)-dimethylphosphanium;(2-dimethylphosphaniumylphenyl)-diphenylphosphanium;hexakis(9-ethynylanthracene);hexakis(gold(1+));methyl-[2-[methyl(phenyl)phosphaniumyl]phenyl]-phenylphosphanium is C[PH+](C)c1ccccc1[PH+](C)C.C[PH+](C)c1ccccc1[PH+](c1ccccc1)c1ccccc1.C[PH+](c1ccccc1)c1ccccc1[PH+](C)c1ccccc1.[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[C-]#Cc1c2ccccc2cc2ccccc12.[C-]#Cc1c2ccccc2cc2ccccc12.[C-]#Cc1c2ccccc2cc2ccccc12.[C-]#Cc1c2ccccc2cc2ccccc12.[C-]#Cc1c2ccccc2cc2ccccc12.[C-]#Cc1c2ccccc2cc2ccccc12.
What is the InChIKey of (2-dimethylphosphaniumylphenyl)-dimethylphosphanium;(2-dimethylphosphaniumylphenyl)-diphenylphosphanium;hexakis(9-ethynylanthracene);hexakis(gold(1+));methyl-[2-[methyl(phenyl)phosphaniumyl]phenyl]-phenylphosphanium?
The InChIKey is OPKCTKVNFVOQPS-UHFFFAOYSA-T. The full InChI is InChI=1S/2C20H20P2.6C16H9.C10H16P2.6Au/c1-21(17-11-5-3-6-12-17)19-15-9-10-16-20(19)22(2)18-13-7-4-8-14-18;1-21(2)19-15-9-10-16-20(19)22(17-11-5-3-6-12-17)18-13-7-4-8-14-18;6*1-2-14-15-9-5-3-7-12(15)11-13-8-4-6-10-16(13)14;1-11(2)9-7-5-6-8-10(9)12(3)4;;;;;;/h2*3-16H,1-2H3;6*3-11H;5-8H,1-4H3;;;;;;/q;;6*-1;;6*+1/p+6.
What are the key properties of (2-dimethylphosphaniumylphenyl)-dimethylphosphanium;(2-dimethylphosphaniumylphenyl)-diphenylphosphanium;hexakis(9-ethynylanthracene);hexakis(gold(1+));methyl-[2-[methyl(phenyl)phosphaniumyl]phenyl]-phenylphosphanium?
(2-dimethylphosphaniumylphenyl)-dimethylphosphanium;(2-dimethylphosphaniumylphenyl)-diphenylphosphanium;hexakis(9-ethynylanthracene);hexakis(gold(1+));methyl-[2-[methyl(phenyl)phosphaniumyl]phenyl]-phenylphosphanium has a molecular weight of 3238.18 g/mol, XLogP of 32.01, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-dimethylphosphaniumylphenyl)-dimethylphosphanium;(2-dimethylphosphaniumylphenyl)-diphenylphosphanium;hexakis(9-ethynylanthracene);hexakis(gold(1+));methyl-[2-[methyl(phenyl)phosphaniumyl]phenyl]-phenylphosphanium is sourced from PubChem (CID 163755412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).