cyclohexa-2,4-dien-1-yl-(3-diphenylphosphaniumylnaphthalen-2-yl)-phenylphosphanium;bis(2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);bis(gold(1+))

C66H56Au2P2Si2+2 — CID 164790506

IUPACcyclohexa-2,4-dien-1-yl-(3-diphenylphosphaniumylnaphthalen-2-yl)-phenylphosphanium;bis(2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);bis(gold(1+))
SMILESC1=CCC([PH+](c2ccccc2)c2cc3ccccc3cc2[PH+](c2ccccc2)c2ccccc2)C=C1.[Au+].[Au+].[C-]#Cc1ccc2c(c1)-c1ccccc1[Si]2(C)C.[C-]#Cc1ccc2c(c1)-c1ccccc1[Si]2(C)C
InChIInChI=1S/C34H28P2.2C16H13Si.2Au/c1-5-17-29(18-6-1)35(30-19-7-2-8-20-30)33-25-27-15-13-14-16-28(27)26-34(33)36(31-21-9-3-10-22-31)32-23-11-4-12-24-32;2*1-4-12-9-10-16-14(11-12)13-7-5-6-8-15(13)17(16,2)3;;/h1-23,25-26,32H,24H2;2*5-11H,2-3H3;;/q;2*-1;2*+1/p+2
InChIKeyXBMNKRMGGOJKTO-UHFFFAOYSA-P
MW1361.23 g/mol
LogP11.23
Rot. Bonds6

About cyclohexa-2,4-dien-1-yl-(3-diphenylphosphaniumylnaphthalen-2-yl)-phenylphosphanium;bis(2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);bis(gold(1+))

cyclohexa-2,4-dien-1-yl-(3-diphenylphosphaniumylnaphthalen-2-yl)-phenylphosphanium;bis(2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);bis(gold(1+)) (PubChem CID 164790506) has the molecular formula C66H56Au2P2Si2+2 and a molecular weight of 1361.23 g/mol. Its IUPAC name is cyclohexa-2,4-dien-1-yl-(3-diphenylphosphaniumylnaphthalen-2-yl)-phenylphosphanium;bis(2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);bis(gold(1+)).

Molecular Properties

Compound Namecyclohexa-2,4-dien-1-yl-(3-diphenylphosphaniumylnaphthalen-2-yl)-phenylphosphanium;bis(2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);bis(gold(1+))
PubChem CID164790506
Molecular FormulaC66H56Au2P2Si2+2
Molecular Weight1361.23 g/mol
Exact Mass1360.27
IUPAC Namecyclohexa-2,4-dien-1-yl-(3-diphenylphosphaniumylnaphthalen-2-yl)-phenylphosphanium;bis(2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);bis(gold(1+))
SMILESC1=CCC([PH+](c2ccccc2)c2cc3ccccc3cc2[PH+](c2ccccc2)c2ccccc2)C=C1.[Au+].[Au+].[C-]#Cc1ccc2c(c1)-c1ccccc1[Si]2(C)C.[C-]#Cc1ccc2c(c1)-c1ccccc1[Si]2(C)C
InChIInChI=1S/C34H28P2.2C16H13Si.2Au/c1-5-17-29(18-6-1)35(30-19-7-2-8-20-30)33-25-27-15-13-14-16-28(27)26-34(33)36(31-21-9-3-10-22-31)32-23-11-4-12-24-32;2*1-4-12-9-10-16-14(11-12)13-7-5-6-8-15(13)17(16,2)3;;/h1-23,25-26,32H,24H2;2*5-11H,2-3H3;;/q;2*-1;2*+1/p+2
InChIKeyXBMNKRMGGOJKTO-UHFFFAOYSA-P
XLogP11.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001361.23
LogP ≤ 511.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(3-diphenylphosphaniumylnaphthalen-2-yl)-diphenylphosphanium;3-ethenyl-5,5-dimethylbenzo[b][1]benzosilole;2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;bis(gold(1+))
CID 164789976
2-diphenylphosphaniumylethyl(diphenyl)phosphanium;2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;bis(gold(1+))
CID 164789498
cyclohexa-2,4-dien-1-yl-(3-diphenylphosphaniumyldibenzofuran-2-yl)-phenylphosphanium;3-ethynyl-2,9-dihydro-1H-fluorene;2-ethynyl-9H-fluorene;bis(gold(1+))
CID 164790331
2-diphenylphosphaniumylethyl(diphenyl)phosphanium;2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;2-ethynyl-9H-fluorene;bis(gold(1+))
CID 164790381
(6-diphenylphosphaniumyl-1-methylbenzimidazol-5-yl)-diphenylphosphanium;3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;gold;gold(1+)
CID 164790032
bis(3,8-bis(ethynyl)-5,5-dimethylbenzo[b][1]benzosilole);bis(4-diphenylphosphaniumylbutyl(diphenyl)phosphanium);tetrakis(gold(1+))
CID 164790294
2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium;bis(3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);bis(gold(1+))
CID 164789551
bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);1-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;2-ethynyl-9H-fluorene;4-ethynyl-9H-fluorene;tetrakis(gold(1+))
CID 165007613
silver;cyclohexa-1,5-dien-1-yl-[[cyclohexa-2,4-dien-1-yl(phenyl)phosphaniumyl]methyl]-phenylphosphanium;bis(3-ethynyl-9,9-dimethylfluorene);gold(1+)
CID 164789848
(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;2-ethynyl-9,9-dimethylfluorene;3-ethynyl-9,9-dimethylfluorene;bis(gold(1+))
CID 164790371
bis(dicyclohexyl(4-dicyclohexylphosphaniumylbutyl)phosphanium);bis((2S,5S)-1-[4-[(2S,5S)-2,5-dimethylphospholan-1-ium-1-yl]butyl]-2,5-dimethylphospholan-1-ium);tetrakis(2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);tetrakis(3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);octakis(gold(1+))
CID 164985629
(3-diphenylphosphaniumylnaphthalen-2-yl)-diphenylphosphanium;bis(1-ethynyl-9H-fluorene);bis(gold(1+))
CID 164789483

Frequently Asked Questions

What is the IUPAC name of cyclohexa-2,4-dien-1-yl-(3-diphenylphosphaniumylnaphthalen-2-yl)-phenylphosphanium;bis(2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);bis(gold(1+))?
The IUPAC name of cyclohexa-2,4-dien-1-yl-(3-diphenylphosphaniumylnaphthalen-2-yl)-phenylphosphanium;bis(2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);bis(gold(1+)) (CID 164790506) is cyclohexa-2,4-dien-1-yl-(3-diphenylphosphaniumylnaphthalen-2-yl)-phenylphosphanium;bis(2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);bis(gold(1+)).
What is the SMILES notation for cyclohexa-2,4-dien-1-yl-(3-diphenylphosphaniumylnaphthalen-2-yl)-phenylphosphanium;bis(2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);bis(gold(1+))?
The canonical SMILES for cyclohexa-2,4-dien-1-yl-(3-diphenylphosphaniumylnaphthalen-2-yl)-phenylphosphanium;bis(2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);bis(gold(1+)) is C1=CCC([PH+](c2ccccc2)c2cc3ccccc3cc2[PH+](c2ccccc2)c2ccccc2)C=C1.[Au+].[Au+].[C-]#Cc1ccc2c(c1)-c1ccccc1[Si]2(C)C.[C-]#Cc1ccc2c(c1)-c1ccccc1[Si]2(C)C.
What is the InChIKey of cyclohexa-2,4-dien-1-yl-(3-diphenylphosphaniumylnaphthalen-2-yl)-phenylphosphanium;bis(2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);bis(gold(1+))?
The InChIKey is XBMNKRMGGOJKTO-UHFFFAOYSA-P. The full InChI is InChI=1S/C34H28P2.2C16H13Si.2Au/c1-5-17-29(18-6-1)35(30-19-7-2-8-20-30)33-25-27-15-13-14-16-28(27)26-34(33)36(31-21-9-3-10-22-31)32-23-11-4-12-24-32;2*1-4-12-9-10-16-14(11-12)13-7-5-6-8-15(13)17(16,2)3;;/h1-23,25-26,32H,24H2;2*5-11H,2-3H3;;/q;2*-1;2*+1/p+2.
What are the key properties of cyclohexa-2,4-dien-1-yl-(3-diphenylphosphaniumylnaphthalen-2-yl)-phenylphosphanium;bis(2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);bis(gold(1+))?
cyclohexa-2,4-dien-1-yl-(3-diphenylphosphaniumylnaphthalen-2-yl)-phenylphosphanium;bis(2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);bis(gold(1+)) has a molecular weight of 1361.23 g/mol, XLogP of 11.23, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-2,4-dien-1-yl-(3-diphenylphosphaniumylnaphthalen-2-yl)-phenylphosphanium;bis(2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);bis(gold(1+)) is sourced from PubChem (CID 164790506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).