(6-diphenylphosphaniumyl-1-methylbenzimidazol-5-yl)-diphenylphosphanium;3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;gold;gold(1+)

C48H41Au2N2P2Si+2 — CID 164790032

IUPAC(6-diphenylphosphaniumyl-1-methylbenzimidazol-5-yl)-diphenylphosphanium;3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;gold;gold(1+)
SMILESCn1cnc2cc([PH+](c3ccccc3)c3ccccc3)c([PH+](c3ccccc3)c3ccccc3)cc21.[Au+].[Au].[C-]#Cc1ccc2c(c1)[Si](C)(C)c1ccccc1-2
InChIInChI=1S/C32H26N2P2.C16H13Si.2Au/c1-34-24-33-29-22-31(35(25-14-6-2-7-15-25)26-16-8-3-9-17-26)32(23-30(29)34)36(27-18-10-4-11-19-27)28-20-12-5-13-21-28;1-4-12-9-10-14-13-7-5-6-8-15(13)17(2,3)16(14)11-12;;/h2-24H,1H3;5-11H,2-3H3;;/q;-1;;+1/p+2
InChIKeyUURQZSWLEAENSJ-UHFFFAOYSA-P
MW1129.84 g/mol
LogP6.98
Rot. Bonds6

About (6-diphenylphosphaniumyl-1-methylbenzimidazol-5-yl)-diphenylphosphanium;3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;gold;gold(1+)

(6-diphenylphosphaniumyl-1-methylbenzimidazol-5-yl)-diphenylphosphanium;3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;gold;gold(1+) (PubChem CID 164790032) has the molecular formula C48H41Au2N2P2Si+2 and a molecular weight of 1129.84 g/mol. Its IUPAC name is (6-diphenylphosphaniumyl-1-methylbenzimidazol-5-yl)-diphenylphosphanium;3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;gold;gold(1+).

Molecular Properties

Compound Name(6-diphenylphosphaniumyl-1-methylbenzimidazol-5-yl)-diphenylphosphanium;3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;gold;gold(1+)
PubChem CID164790032
Molecular FormulaC48H41Au2N2P2Si+2
Molecular Weight1129.84 g/mol
Exact Mass1129.18
IUPAC Name(6-diphenylphosphaniumyl-1-methylbenzimidazol-5-yl)-diphenylphosphanium;3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;gold;gold(1+)
SMILESCn1cnc2cc([PH+](c3ccccc3)c3ccccc3)c([PH+](c3ccccc3)c3ccccc3)cc21.[Au+].[Au].[C-]#Cc1ccc2c(c1)[Si](C)(C)c1ccccc1-2
InChIInChI=1S/C32H26N2P2.C16H13Si.2Au/c1-34-24-33-29-22-31(35(25-14-6-2-7-15-25)26-16-8-3-9-17-26)32(23-30(29)34)36(27-18-10-4-11-19-27)28-20-12-5-13-21-28;1-4-12-9-10-14-13-7-5-6-8-15(13)17(2,3)16(14)11-12;;/h2-24H,1H3;5-11H,2-3H3;;/q;-1;;+1/p+2
InChIKeyUURQZSWLEAENSJ-UHFFFAOYSA-P
XLogP6.98
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001129.84
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium;bis(3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);bis(gold(1+))
CID 164789551
bis(3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);gold;1-(2H-imidazol-2-id-1-ylmethyl)-2H-imidazol-2-ide
CID 164789801
bis(3,8-bis(ethynyl)-5,5-dimethylbenzo[b][1]benzosilole);bis(4-diphenylphosphaniumylbutyl(diphenyl)phosphanium);tetrakis(gold(1+))
CID 164790294
3,6-bis(ethynyl)-9H-fluorene;3,6-bis(ethynyl)-9-methylcarbazole;bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+))
CID 164790417
(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;2-ethynyl-9,9-dimethylfluorene;3-ethynyl-9,9-dimethylfluorene;bis(gold(1+))
CID 164790371
bis(3,7-bis(ethynyl)dibenzofuran);bis(3,7-bis(ethynyl)dibenzothiophene);bis(3,7-bis(ethynyl)-5,5-dimethylbenzo[b][1]benzosilole);bis(2,7-bis(ethynyl)-9-phenylcarbazole);octakis(diphenylphosphaniumylmethyl(diphenyl)phosphanium);hexadecakis(gold(1+))
CID 165036622
bis((2-diphenylphosphaniumyl-9-phenylcarbazol-3-yl)-diphenylphosphanium);2-ethynyl-9H-fluorene;3-ethynyl-9H-fluorene;bis(4-ethynyl-9H-fluorene);tetrakis(gold(1+))
CID 164984764
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
bis(3,7-bis(ethynyl)dibenzothiophene);bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+))
CID 164789740
(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(2-ethynylphenanthrene);bis(gold(1+))
CID 162499402
2,8-bis(ethynyl)dibenzofuran;3,6-bis(ethynyl)-9,9-dimethylfluorene;bis(2,8-bis(ethynyl)-5,5-diphenylbenzo[b][1]benzosilole);tris(3,6-bis(ethynyl)-9H-fluorene);3,6-bis(ethynyl)-9-methylcarbazole;octakis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);hexadecakis(gold(1+))
CID 164997658
1-methyl-6-phenylbenzimidazole
CID 135028518

Frequently Asked Questions

What is the IUPAC name of (6-diphenylphosphaniumyl-1-methylbenzimidazol-5-yl)-diphenylphosphanium;3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;gold;gold(1+)?
The IUPAC name of (6-diphenylphosphaniumyl-1-methylbenzimidazol-5-yl)-diphenylphosphanium;3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;gold;gold(1+) (CID 164790032) is (6-diphenylphosphaniumyl-1-methylbenzimidazol-5-yl)-diphenylphosphanium;3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;gold;gold(1+).
What is the SMILES notation for (6-diphenylphosphaniumyl-1-methylbenzimidazol-5-yl)-diphenylphosphanium;3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;gold;gold(1+)?
The canonical SMILES for (6-diphenylphosphaniumyl-1-methylbenzimidazol-5-yl)-diphenylphosphanium;3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;gold;gold(1+) is Cn1cnc2cc([PH+](c3ccccc3)c3ccccc3)c([PH+](c3ccccc3)c3ccccc3)cc21.[Au+].[Au].[C-]#Cc1ccc2c(c1)[Si](C)(C)c1ccccc1-2.
What is the InChIKey of (6-diphenylphosphaniumyl-1-methylbenzimidazol-5-yl)-diphenylphosphanium;3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;gold;gold(1+)?
The InChIKey is UURQZSWLEAENSJ-UHFFFAOYSA-P. The full InChI is InChI=1S/C32H26N2P2.C16H13Si.2Au/c1-34-24-33-29-22-31(35(25-14-6-2-7-15-25)26-16-8-3-9-17-26)32(23-30(29)34)36(27-18-10-4-11-19-27)28-20-12-5-13-21-28;1-4-12-9-10-14-13-7-5-6-8-15(13)17(2,3)16(14)11-12;;/h2-24H,1H3;5-11H,2-3H3;;/q;-1;;+1/p+2.
What are the key properties of (6-diphenylphosphaniumyl-1-methylbenzimidazol-5-yl)-diphenylphosphanium;3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;gold;gold(1+)?
(6-diphenylphosphaniumyl-1-methylbenzimidazol-5-yl)-diphenylphosphanium;3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;gold;gold(1+) has a molecular weight of 1129.84 g/mol, XLogP of 6.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-diphenylphosphaniumyl-1-methylbenzimidazol-5-yl)-diphenylphosphanium;3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;gold;gold(1+) is sourced from PubChem (CID 164790032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).