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+))

C198H148Au6P6+6 — CID 163670975

IUPACtris(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+))
SMILES[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[C-]#Cc1c2ccccc2c(-c2ccccc2)c2ccccc12.[C-]#Cc1cc2c3ccccc3c(-c3ccccc3)cc2c2ccccc12.[C-]#Cc1ccc2ccccc2c1.[C-]#Cc1cccc2c(-c3ccccc3)c3ccccc3cc12.[C-]#Cc1cccc2c1ccc1c3ccccc3c(-c3ccccc3)cc21.[C-]#Cc1cccc2ccccc12.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/3C26H24P2.2C26H15.2C22H13.2C12H7.6Au/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;1-2-18-16-25-23-15-9-8-14-22(23)24(19-10-4-3-5-11-19)17-26(25)21-13-7-6-12-20(18)21;1-2-18-11-8-14-21-20(18)15-16-24-22-12-6-7-13-23(22)25(17-26(21)24)19-9-4-3-5-10-19;1-2-17-18-12-6-8-14-20(18)22(16-10-4-3-5-11-16)21-15-9-7-13-19(17)21;1-2-16-12-8-14-20-21(16)15-18-11-6-7-13-19(18)22(20)17-9-4-3-5-10-17;1-2-10-7-5-8-11-6-3-4-9-12(10)11;1-2-10-7-8-11-5-3-4-6-12(11)9-10;;;;;;/h3*1-20H,21-22H2;2*3-17H;2*3-15H;2*3-9H;;;;;;/q;;;6*-1;6*+1/p+6
InChIKeyBWQHCPQMAPHCMS-UHFFFAOYSA-T
MW3895.01 g/mol
LogP44.39
Rot. Bonds25

About 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+))

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+)) (PubChem CID 163670975) has the molecular formula C198H148Au6P6+6 and a molecular weight of 3895.01 g/mol. Its IUPAC name is 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+)).

Molecular Properties

Compound Nametris(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+))
PubChem CID163670975
Molecular FormulaC198H148Au6P6+6
Molecular Weight3895.01 g/mol
Exact Mass3892.80
IUPAC Nametris(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+))
SMILES[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[C-]#Cc1c2ccccc2c(-c2ccccc2)c2ccccc12.[C-]#Cc1cc2c3ccccc3c(-c3ccccc3)cc2c2ccccc12.[C-]#Cc1ccc2ccccc2c1.[C-]#Cc1cccc2c(-c3ccccc3)c3ccccc3cc12.[C-]#Cc1cccc2c1ccc1c3ccccc3c(-c3ccccc3)cc21.[C-]#Cc1cccc2ccccc12.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/3C26H24P2.2C26H15.2C22H13.2C12H7.6Au/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;1-2-18-16-25-23-15-9-8-14-22(23)24(19-10-4-3-5-11-19)17-26(25)21-13-7-6-12-20(18)21;1-2-18-11-8-14-21-20(18)15-16-24-22-12-6-7-13-23(22)25(17-26(21)24)19-9-4-3-5-10-19;1-2-17-18-12-6-8-14-20(18)22(16-10-4-3-5-11-16)21-15-9-7-13-19(17)21;1-2-16-12-8-14-20-21(16)15-18-11-6-7-13-19(18)22(20)17-9-4-3-5-10-17;1-2-10-7-5-8-11-6-3-4-9-12(10)11;1-2-10-7-8-11-5-3-4-6-12(11)9-10;;;;;;/h3*1-20H,21-22H2;2*3-17H;2*3-15H;2*3-9H;;;;;;/q;;;6*-1;6*+1/p+6
InChIKeyBWQHCPQMAPHCMS-UHFFFAOYSA-T
XLogP44.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds25
Heavy Atoms210
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003895.01
LogP ≤ 544.39
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_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 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+)) with MolForge

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Related Compounds

silver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(2-ethynylphenanthrene);gold(1+)
CID 162499526
silver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(9-ethynylphenanthrene);gold(1+)
CID 162499383
disilver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(1-ethynyl-5-phenylnaphthalene)
CID 162499763
tris(2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium);bis(1-ethynylphenanthrene);bis(2-ethynylphenanthrene);bis(9-ethynylphenanthrene);hexakis(gold(1+))
CID 163943977
2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(gold(1+))
CID 162499688
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;diphenylphosphaniumylmethyl(diphenyl)phosphanium;1-ethynylphenanthrene;9-ethynylphenanthrene
CID 162499694
hexasilver;tris((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);9-ethynylanthracene;6-ethynylchrysene;bis(9-ethynyl-10-methylanthracene);9-ethynylphenanthrene;9-ethynyl-10-phenylanthracene
CID 163429719
2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(6-ethynylpentacene);bis(gold(1+))
CID 162499547
(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;6-ethynylchrysene;9-ethynylphenanthrene;bis(gold(1+))
CID 162499487
diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynyltriphenylene);bis(gold(1+))
CID 162499734
disilver;diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynylnaphthalene)
CID 162499676

Frequently Asked Questions

What is the IUPAC name of 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+))?
The IUPAC name of 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) is 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+)).
What is the SMILES notation for 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+))?
The canonical SMILES for 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+)) is [Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[C-]#Cc1c2ccccc2c(-c2ccccc2)c2ccccc12.[C-]#Cc1cc2c3ccccc3c(-c3ccccc3)cc2c2ccccc12.[C-]#Cc1ccc2ccccc2c1.[C-]#Cc1cccc2c(-c3ccccc3)c3ccccc3cc12.[C-]#Cc1cccc2c1ccc1c3ccccc3c(-c3ccccc3)cc21.[C-]#Cc1cccc2ccccc12.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 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+))?
The InChIKey is BWQHCPQMAPHCMS-UHFFFAOYSA-T. The full InChI is InChI=1S/3C26H24P2.2C26H15.2C22H13.2C12H7.6Au/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;1-2-18-16-25-23-15-9-8-14-22(23)24(19-10-4-3-5-11-19)17-26(25)21-13-7-6-12-20(18)21;1-2-18-11-8-14-21-20(18)15-16-24-22-12-6-7-13-23(22)25(17-26(21)24)19-9-4-3-5-10-19;1-2-17-18-12-6-8-14-20(18)22(16-10-4-3-5-11-16)21-15-9-7-13-19(17)21;1-2-16-12-8-14-20-21(16)15-18-11-6-7-13-19(18)22(20)17-9-4-3-5-10-17;1-2-10-7-5-8-11-6-3-4-9-12(10)11;1-2-10-7-8-11-5-3-4-6-12(11)9-10;;;;;;/h3*1-20H,21-22H2;2*3-17H;2*3-15H;2*3-9H;;;;;;/q;;;6*-1;6*+1/p+6.
What are the key properties of 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+))?
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+)) has a molecular weight of 3895.01 g/mol, XLogP of 44.39, 25 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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+)) is sourced from PubChem (CID 163670975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).