hexasilver;tris(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);bis(1-ethynylchrysene);bis(2-ethynylchrysene);bis(5-ethynylchrysene)

C198H144Ag6P6+6 — CID 163797382

IUPAChexasilver;tris(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);bis(1-ethynylchrysene);bis(2-ethynylchrysene);bis(5-ethynylchrysene)
SMILES[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[C-]#Cc1cc2ccccc2c2ccc3ccccc3c12.[C-]#Cc1cc2ccccc2c2ccc3ccccc3c12.[C-]#Cc1ccc2c(ccc3c4ccccc4ccc23)c1.[C-]#Cc1ccc2c(ccc3c4ccccc4ccc23)c1.[C-]#Cc1cccc2c1ccc1c3ccccc3ccc21.[C-]#Cc1cccc2c1ccc1c3ccccc3ccc21.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C26H24P2.6C20H11.6Ag/c3*1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;2*1-2-14-13-16-8-4-5-9-17(16)19-12-11-15-7-3-6-10-18(15)20(14)19;2*1-2-14-7-5-9-18-17(14)12-13-19-16-8-4-3-6-15(16)10-11-20(18)19;2*1-2-14-7-10-18-16(13-14)9-12-19-17-6-4-3-5-15(17)8-11-20(18)19;;;;;;/h3*1-20H,21-22H2;6*3-13H;;;;;;/q;;;6*-1;6*+1/p+6
InChIKeyNKIMJTBOTBBJNJ-UHFFFAOYSA-T
MW3356.38 g/mol
LogP44.64
Rot. Bonds21

About hexasilver;tris(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);bis(1-ethynylchrysene);bis(2-ethynylchrysene);bis(5-ethynylchrysene)

hexasilver;tris(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);bis(1-ethynylchrysene);bis(2-ethynylchrysene);bis(5-ethynylchrysene) (PubChem CID 163797382) has the molecular formula C198H144Ag6P6+6 and a molecular weight of 3356.38 g/mol. Its IUPAC name is hexasilver;tris(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);bis(1-ethynylchrysene);bis(2-ethynylchrysene);bis(5-ethynylchrysene).

Molecular Properties

Compound Namehexasilver;tris(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);bis(1-ethynylchrysene);bis(2-ethynylchrysene);bis(5-ethynylchrysene)
PubChem CID163797382
Molecular FormulaC198H144Ag6P6+6
Molecular Weight3356.38 g/mol
Exact Mass3348.40
IUPAC Namehexasilver;tris(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);bis(1-ethynylchrysene);bis(2-ethynylchrysene);bis(5-ethynylchrysene)
SMILES[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[C-]#Cc1cc2ccccc2c2ccc3ccccc3c12.[C-]#Cc1cc2ccccc2c2ccc3ccccc3c12.[C-]#Cc1ccc2c(ccc3c4ccccc4ccc23)c1.[C-]#Cc1ccc2c(ccc3c4ccccc4ccc23)c1.[C-]#Cc1cccc2c1ccc1c3ccccc3ccc21.[C-]#Cc1cccc2c1ccc1c3ccccc3ccc21.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C26H24P2.6C20H11.6Ag/c3*1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;2*1-2-14-13-16-8-4-5-9-17(16)19-12-11-15-7-3-6-10-18(15)20(14)19;2*1-2-14-7-5-9-18-17(14)12-13-19-16-8-4-3-6-15(16)10-11-20(18)19;2*1-2-14-7-10-18-16(13-14)9-12-19-17-6-4-3-5-15(17)8-11-20(18)19;;;;;;/h3*1-20H,21-22H2;6*3-13H;;;;;;/q;;;6*-1;6*+1/p+6
InChIKeyNKIMJTBOTBBJNJ-UHFFFAOYSA-T
XLogP44.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms210
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003356.38
LogP ≤ 544.64
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

silver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(2-ethynylphenanthrene);gold(1+)
CID 162499526
disilver;diphenylphosphaniumylmethyl(diphenyl)phosphanium;1-ethynylphenanthrene;9-ethynylphenanthrene
CID 162499694
silver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(9-ethynylphenanthrene);gold(1+)
CID 162499383
tris(2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium);bis(1-ethynylphenanthrene);bis(2-ethynylphenanthrene);bis(9-ethynylphenanthrene);hexakis(gold(1+))
CID 163943977
disilver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(1-ethynyltetracene)
CID 162499534
tris(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);1-ethynylnaphthalene;2-ethynylnaphthalene;1-ethynyl-10-phenylanthracene;9-ethynyl-10-phenylanthracene;1-ethynyl-6-phenylchrysene;6-ethynyl-12-phenylchrysene;hexakis(gold(1+))
CID 163670975
hexakis((3-diphenylphosphaniumyl-2,3-dimethylbutan-2-yl)-diphenylphosphanium);2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(6-ethynylchrysene);bis(1-ethynylphenanthrene);bis(2-ethynylphenanthrene);bis(3-ethynylphenanthrene);bis(4-ethynylphenanthrene);bis(9-ethynylphenanthrene);tetradecakis(gold(1+))
CID 163987666
disilver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(1-ethynyl-5-phenylnaphthalene)
CID 162499763
(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(2-ethynylphenanthrene);bis(gold(1+))
CID 162499402
disilver;diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynylnaphthalene)
CID 162499676
2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(gold(1+))
CID 162499688
(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;6-ethynylchrysene;9-ethynylphenanthrene;bis(gold(1+))
CID 162499487

Frequently Asked Questions

What is the IUPAC name of hexasilver;tris(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);bis(1-ethynylchrysene);bis(2-ethynylchrysene);bis(5-ethynylchrysene)?
The IUPAC name of hexasilver;tris(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);bis(1-ethynylchrysene);bis(2-ethynylchrysene);bis(5-ethynylchrysene) (CID 163797382) is hexasilver;tris(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);bis(1-ethynylchrysene);bis(2-ethynylchrysene);bis(5-ethynylchrysene).
What is the SMILES notation for hexasilver;tris(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);bis(1-ethynylchrysene);bis(2-ethynylchrysene);bis(5-ethynylchrysene)?
The canonical SMILES for hexasilver;tris(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);bis(1-ethynylchrysene);bis(2-ethynylchrysene);bis(5-ethynylchrysene) is [Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[C-]#Cc1cc2ccccc2c2ccc3ccccc3c12.[C-]#Cc1cc2ccccc2c2ccc3ccccc3c12.[C-]#Cc1ccc2c(ccc3c4ccccc4ccc23)c1.[C-]#Cc1ccc2c(ccc3c4ccccc4ccc23)c1.[C-]#Cc1cccc2c1ccc1c3ccccc3ccc21.[C-]#Cc1cccc2c1ccc1c3ccccc3ccc21.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of hexasilver;tris(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);bis(1-ethynylchrysene);bis(2-ethynylchrysene);bis(5-ethynylchrysene)?
The InChIKey is NKIMJTBOTBBJNJ-UHFFFAOYSA-T. The full InChI is InChI=1S/3C26H24P2.6C20H11.6Ag/c3*1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;2*1-2-14-13-16-8-4-5-9-17(16)19-12-11-15-7-3-6-10-18(15)20(14)19;2*1-2-14-7-5-9-18-17(14)12-13-19-16-8-4-3-6-15(16)10-11-20(18)19;2*1-2-14-7-10-18-16(13-14)9-12-19-17-6-4-3-5-15(17)8-11-20(18)19;;;;;;/h3*1-20H,21-22H2;6*3-13H;;;;;;/q;;;6*-1;6*+1/p+6.
What are the key properties of hexasilver;tris(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);bis(1-ethynylchrysene);bis(2-ethynylchrysene);bis(5-ethynylchrysene)?
hexasilver;tris(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);bis(1-ethynylchrysene);bis(2-ethynylchrysene);bis(5-ethynylchrysene) has a molecular weight of 3356.38 g/mol, XLogP of 44.64, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexasilver;tris(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);bis(1-ethynylchrysene);bis(2-ethynylchrysene);bis(5-ethynylchrysene) is sourced from PubChem (CID 163797382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).