disilver;(2-diphenylphosphaniumyl-4,5-dimethylphenyl)-diphenylphosphanium;bis(3-ethynylphenanthrene)

C64H48Ag2P2+2 — CID 162499781

IUPACdisilver;(2-diphenylphosphaniumyl-4,5-dimethylphenyl)-diphenylphosphanium;bis(3-ethynylphenanthrene)
SMILESCc1cc([PH+](c2ccccc2)c2ccccc2)c([PH+](c2ccccc2)c2ccccc2)cc1C.[Ag+].[Ag+].[C-]#Cc1ccc2ccc3ccccc3c2c1.[C-]#Cc1ccc2ccc3ccccc3c2c1
InChIInChI=1S/C32H28P2.2C16H9.2Ag/c1-25-23-31(33(27-15-7-3-8-16-27)28-17-9-4-10-18-28)32(24-26(25)2)34(29-19-11-5-12-20-29)30-21-13-6-14-22-30;2*1-2-12-7-8-14-10-9-13-5-3-4-6-15(13)16(14)11-12;;/h3-24H,1-2H3;2*3-11H;;/q;2*-1;2*+1/p+2
InChIKeyBBXIVNADZVIKIJ-UHFFFAOYSA-P
MW1094.77 g/mol
LogP13.14
Rot. Bonds6

About disilver;(2-diphenylphosphaniumyl-4,5-dimethylphenyl)-diphenylphosphanium;bis(3-ethynylphenanthrene)

disilver;(2-diphenylphosphaniumyl-4,5-dimethylphenyl)-diphenylphosphanium;bis(3-ethynylphenanthrene) (PubChem CID 162499781) has the molecular formula C64H48Ag2P2+2 and a molecular weight of 1094.77 g/mol. Its IUPAC name is disilver;(2-diphenylphosphaniumyl-4,5-dimethylphenyl)-diphenylphosphanium;bis(3-ethynylphenanthrene).

Molecular Properties

Compound Namedisilver;(2-diphenylphosphaniumyl-4,5-dimethylphenyl)-diphenylphosphanium;bis(3-ethynylphenanthrene)
PubChem CID162499781
Molecular FormulaC64H48Ag2P2+2
Molecular Weight1094.77 g/mol
Exact Mass1092.13
IUPAC Namedisilver;(2-diphenylphosphaniumyl-4,5-dimethylphenyl)-diphenylphosphanium;bis(3-ethynylphenanthrene)
SMILESCc1cc([PH+](c2ccccc2)c2ccccc2)c([PH+](c2ccccc2)c2ccccc2)cc1C.[Ag+].[Ag+].[C-]#Cc1ccc2ccc3ccccc3c2c1.[C-]#Cc1ccc2ccc3ccccc3c2c1
InChIInChI=1S/C32H28P2.2C16H9.2Ag/c1-25-23-31(33(27-15-7-3-8-16-27)28-17-9-4-10-18-28)32(24-26(25)2)34(29-19-11-5-12-20-29)30-21-13-6-14-22-30;2*1-2-12-7-8-14-10-9-13-5-3-4-6-15(13)16(14)11-12;;/h3-24H,1-2H3;2*3-11H;;/q;2*-1;2*+1/p+2
InChIKeyBBXIVNADZVIKIJ-UHFFFAOYSA-P
XLogP13.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001094.77
LogP ≤ 513.14
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
(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(2-ethynyltriphenylene);bis(gold(1+))
CID 162499829
silver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(2-ethynylphenanthrene);gold(1+)
CID 162499526
hexasilver;tris((2-diphenylphosphaniumyl-4,5-dimethylphenyl)-diphenylphosphanium);bis(1-ethynylanthracene);bis(9-ethynylanthracene);bis(4-ethynylphenanthrene)
CID 163963600
disilver;diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynylnaphthalene)
CID 162499676
(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;6-ethynylchrysene;9-ethynylphenanthrene;bis(gold(1+))
CID 162499487
bis(2,7-bis(ethynyl)-9-methylcarbazole);bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+))
CID 164790459
(3-diphenylphosphaniumyl-5,6,7,8-tetrahydronaphthalen-2-yl)-diphenylphosphanium;bis(6-ethynylchrysene);bis(gold(1+))
CID 162499417
diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynyltriphenylene);bis(gold(1+))
CID 162499734
diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynylnaphthalene);bis(gold(1+))
CID 162499562
bis(3,7-bis(ethynyl)dibenzothiophene);bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+))
CID 164789740
bis(2,6-bis(ethynyl)-9-phenylcarbazole);bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+))
CID 164790070

Frequently Asked Questions

What is the IUPAC name of disilver;(2-diphenylphosphaniumyl-4,5-dimethylphenyl)-diphenylphosphanium;bis(3-ethynylphenanthrene)?
The IUPAC name of disilver;(2-diphenylphosphaniumyl-4,5-dimethylphenyl)-diphenylphosphanium;bis(3-ethynylphenanthrene) (CID 162499781) is disilver;(2-diphenylphosphaniumyl-4,5-dimethylphenyl)-diphenylphosphanium;bis(3-ethynylphenanthrene).
What is the SMILES notation for disilver;(2-diphenylphosphaniumyl-4,5-dimethylphenyl)-diphenylphosphanium;bis(3-ethynylphenanthrene)?
The canonical SMILES for disilver;(2-diphenylphosphaniumyl-4,5-dimethylphenyl)-diphenylphosphanium;bis(3-ethynylphenanthrene) is Cc1cc([PH+](c2ccccc2)c2ccccc2)c([PH+](c2ccccc2)c2ccccc2)cc1C.[Ag+].[Ag+].[C-]#Cc1ccc2ccc3ccccc3c2c1.[C-]#Cc1ccc2ccc3ccccc3c2c1.
What is the InChIKey of disilver;(2-diphenylphosphaniumyl-4,5-dimethylphenyl)-diphenylphosphanium;bis(3-ethynylphenanthrene)?
The InChIKey is BBXIVNADZVIKIJ-UHFFFAOYSA-P. The full InChI is InChI=1S/C32H28P2.2C16H9.2Ag/c1-25-23-31(33(27-15-7-3-8-16-27)28-17-9-4-10-18-28)32(24-26(25)2)34(29-19-11-5-12-20-29)30-21-13-6-14-22-30;2*1-2-12-7-8-14-10-9-13-5-3-4-6-15(13)16(14)11-12;;/h3-24H,1-2H3;2*3-11H;;/q;2*-1;2*+1/p+2.
What are the key properties of disilver;(2-diphenylphosphaniumyl-4,5-dimethylphenyl)-diphenylphosphanium;bis(3-ethynylphenanthrene)?
disilver;(2-diphenylphosphaniumyl-4,5-dimethylphenyl)-diphenylphosphanium;bis(3-ethynylphenanthrene) has a molecular weight of 1094.77 g/mol, XLogP of 13.14, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for disilver;(2-diphenylphosphaniumyl-4,5-dimethylphenyl)-diphenylphosphanium;bis(3-ethynylphenanthrene) is sourced from PubChem (CID 162499781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).