(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(2-ethynyltriphenylene);bis(gold(1+))

C70H48Au2P2+2 — CID 162499829

IUPAC(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(2-ethynyltriphenylene);bis(gold(1+))
SMILES[Au+].[Au+].[C-]#Cc1ccc2c3ccccc3c3ccccc3c2c1.[C-]#Cc1ccc2c3ccccc3c3ccccc3c2c1.c1ccc([PH+](c2ccccc2)c2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H24P2.2C20H11.2Au/c1-5-15-25(16-6-1)31(26-17-7-2-8-18-26)29-23-13-14-24-30(29)32(27-19-9-3-10-20-27)28-21-11-4-12-22-28;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;;/h1-24H;2*3-13H;;/q;2*-1;2*+1/p+2
InChIKeyPHLHYURHAITLEG-UHFFFAOYSA-P
MW1345.04 g/mol
LogP14.83
Rot. Bonds6

About (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(2-ethynyltriphenylene);bis(gold(1+))

(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(2-ethynyltriphenylene);bis(gold(1+)) (PubChem CID 162499829) has the molecular formula C70H48Au2P2+2 and a molecular weight of 1345.04 g/mol. Its IUPAC name is (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(2-ethynyltriphenylene);bis(gold(1+)).

Molecular Properties

Compound Name(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(2-ethynyltriphenylene);bis(gold(1+))
PubChem CID162499829
Molecular FormulaC70H48Au2P2+2
Molecular Weight1345.04 g/mol
Exact Mass1344.26
IUPAC Name(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(2-ethynyltriphenylene);bis(gold(1+))
SMILES[Au+].[Au+].[C-]#Cc1ccc2c3ccccc3c3ccccc3c2c1.[C-]#Cc1ccc2c3ccccc3c3ccccc3c2c1.c1ccc([PH+](c2ccccc2)c2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H24P2.2C20H11.2Au/c1-5-15-25(16-6-1)31(26-17-7-2-8-18-26)29-23-13-14-24-30(29)32(27-19-9-3-10-20-27)28-21-11-4-12-22-28;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;;/h1-24H;2*3-13H;;/q;2*-1;2*+1/p+2
InChIKeyPHLHYURHAITLEG-UHFFFAOYSA-P
XLogP14.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001345.04
LogP ≤ 514.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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'}

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Related Compounds

(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(2-ethynylphenanthrene);bis(gold(1+))
CID 162499402
bis(3,7-bis(ethynyl)dibenzothiophene);bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+))
CID 164789740
bis(2,7-bis(ethynyl)-9-methylcarbazole);bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+))
CID 164790459
diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynyltriphenylene);bis(gold(1+))
CID 162499734
bis(2,6-bis(ethynyl)-9-phenylcarbazole);bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+))
CID 164790070
(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;6-ethynylchrysene;9-ethynylphenanthrene;bis(gold(1+))
CID 162499487
3,6-bis(ethynyl)-9H-fluorene;3,6-bis(ethynyl)-9-methylcarbazole;bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+))
CID 164790417
disilver;(2-diphenylphosphaniumyl-4,5-dimethylphenyl)-diphenylphosphanium;bis(3-ethynylphenanthrene)
CID 162499781
(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;2-ethynyl-9,9-dimethylfluorene;3-ethynyl-9,9-dimethylfluorene;bis(gold(1+))
CID 164790371
(2-diphenylphosphaniumylphenyl)-[(2E,4Z)-hexa-2,4-dien-3-yl]-phenylphosphanium;bis(3-ethynyldibenzofuran);bis(gold(1+))
CID 164790096
(2-dimethylphosphaniumylphenyl)-dimethylphosphanium;(2-dimethylphosphaniumylphenyl)-diphenylphosphanium;hexakis(9-ethynylanthracene);hexakis(gold(1+));methyl-[2-[methyl(phenyl)phosphaniumyl]phenyl]-phenylphosphanium
CID 163755412
silver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(2-ethynylphenanthrene);gold(1+)
CID 162499526

Frequently Asked Questions

What is the IUPAC name of (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(2-ethynyltriphenylene);bis(gold(1+))?
The IUPAC name of (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(2-ethynyltriphenylene);bis(gold(1+)) (CID 162499829) is (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(2-ethynyltriphenylene);bis(gold(1+)).
What is the SMILES notation for (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(2-ethynyltriphenylene);bis(gold(1+))?
The canonical SMILES for (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(2-ethynyltriphenylene);bis(gold(1+)) is [Au+].[Au+].[C-]#Cc1ccc2c3ccccc3c3ccccc3c2c1.[C-]#Cc1ccc2c3ccccc3c3ccccc3c2c1.c1ccc([PH+](c2ccccc2)c2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(2-ethynyltriphenylene);bis(gold(1+))?
The InChIKey is PHLHYURHAITLEG-UHFFFAOYSA-P. The full InChI is InChI=1S/C30H24P2.2C20H11.2Au/c1-5-15-25(16-6-1)31(26-17-7-2-8-18-26)29-23-13-14-24-30(29)32(27-19-9-3-10-20-27)28-21-11-4-12-22-28;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;;/h1-24H;2*3-13H;;/q;2*-1;2*+1/p+2.
What are the key properties of (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(2-ethynyltriphenylene);bis(gold(1+))?
(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(2-ethynyltriphenylene);bis(gold(1+)) has a molecular weight of 1345.04 g/mol, XLogP of 14.83, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(2-ethynyltriphenylene);bis(gold(1+)) is sourced from PubChem (CID 162499829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).