1-[(4,5-dimethyl-2H-imidazol-2-id-1-yl)methyl]-4,5-dimethyl-2H-imidazol-2-ide;bis(2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);gold

C43H40Au2N4Si2-4 — CID 164790408

IUPAC1-[(4,5-dimethyl-2H-imidazol-2-id-1-yl)methyl]-4,5-dimethyl-2H-imidazol-2-ide;bis(2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);gold
SMILESCc1n[c-]n(Cn2[c-]nc(C)c2C)c1C.[Au].[Au].[C-]#Cc1ccc2c(c1)-c1ccccc1[Si]2(C)C.[C-]#Cc1ccc2c(c1)-c1ccccc1[Si]2(C)C
InChIInChI=1S/2C16H13Si.C11H14N4.2Au/c2*1-4-12-9-10-16-14(11-12)13-7-5-6-8-15(13)17(16,2)3;1-8-10(3)14(5-12-8)7-15-6-13-9(2)11(15)4;;/h2*5-11H,2-3H3;7H2,1-4H3;;/q2*-1;-2;;
InChIKeyYIUXHZSKTZFFCF-UHFFFAOYSA-N
MW1062.93 g/mol
LogP6.27
Rot. Bonds2

About 1-[(4,5-dimethyl-2H-imidazol-2-id-1-yl)methyl]-4,5-dimethyl-2H-imidazol-2-ide;bis(2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);gold

1-[(4,5-dimethyl-2H-imidazol-2-id-1-yl)methyl]-4,5-dimethyl-2H-imidazol-2-ide;bis(2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);gold (PubChem CID 164790408) has the molecular formula C43H40Au2N4Si2-4 and a molecular weight of 1062.93 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-2H-imidazol-2-id-1-yl)methyl]-4,5-dimethyl-2H-imidazol-2-ide;bis(2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);gold.

Molecular Properties

Compound Name1-[(4,5-dimethyl-2H-imidazol-2-id-1-yl)methyl]-4,5-dimethyl-2H-imidazol-2-ide;bis(2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);gold
PubChem CID164790408
Molecular FormulaC43H40Au2N4Si2-4
Molecular Weight1062.93 g/mol
Exact Mass1062.21
IUPAC Name1-[(4,5-dimethyl-2H-imidazol-2-id-1-yl)methyl]-4,5-dimethyl-2H-imidazol-2-ide;bis(2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);gold
SMILESCc1n[c-]n(Cn2[c-]nc(C)c2C)c1C.[Au].[Au].[C-]#Cc1ccc2c(c1)-c1ccccc1[Si]2(C)C.[C-]#Cc1ccc2c(c1)-c1ccccc1[Si]2(C)C
InChIInChI=1S/2C16H13Si.C11H14N4.2Au/c2*1-4-12-9-10-16-14(11-12)13-7-5-6-8-15(13)17(16,2)3;1-8-10(3)14(5-12-8)7-15-6-13-9(2)11(15)4;;/h2*5-11H,2-3H3;7H2,1-4H3;;/q2*-1;-2;;
InChIKeyYIUXHZSKTZFFCF-UHFFFAOYSA-N
XLogP6.27
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001062.93
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);gold;1-(2H-imidazol-2-id-1-ylmethyl)-2H-imidazol-2-ide
CID 164789801
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
bis(3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);gold;N,N,N',N'-tetraphenylbutane-1,4-diamine
CID 164789513
2-diphenylphosphaniumylethyl(diphenyl)phosphanium;2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;2-ethynyl-9H-fluorene;bis(gold(1+))
CID 164790381
bis(3,8-bis(ethynyl)-5,5-dimethylbenzo[b][1]benzosilole);bis(4-diphenylphosphaniumylbutyl(diphenyl)phosphanium);tetrakis(gold(1+))
CID 164790294
1,1-dimethyl-2-[(Z)-3-methylidenepent-1-en-4-ynyl]-1-benzosilole;2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;gold;N,N,N',N'-tetraphenylbutane-1,4-diamine
CID 164790098
2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium;bis(3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);bis(gold(1+))
CID 164789551
1-(2H-benzimidazol-2-id-1-ylmethyl)-2H-benzimidazol-2-ide;3-ethynyl-9-methylcarbazole;gold;gold(1+)
CID 164790337
(6-diphenylphosphaniumyl-1-methylbenzimidazol-5-yl)-diphenylphosphanium;3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;gold;gold(1+)
CID 164790032
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
2-iodo-5,5-dimethylbenzo[b][1]benzosilole
CID 140829027
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

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-2H-imidazol-2-id-1-yl)methyl]-4,5-dimethyl-2H-imidazol-2-ide;bis(2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);gold?
The IUPAC name of 1-[(4,5-dimethyl-2H-imidazol-2-id-1-yl)methyl]-4,5-dimethyl-2H-imidazol-2-ide;bis(2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);gold (CID 164790408) is 1-[(4,5-dimethyl-2H-imidazol-2-id-1-yl)methyl]-4,5-dimethyl-2H-imidazol-2-ide;bis(2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);gold.
What is the SMILES notation for 1-[(4,5-dimethyl-2H-imidazol-2-id-1-yl)methyl]-4,5-dimethyl-2H-imidazol-2-ide;bis(2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);gold?
The canonical SMILES for 1-[(4,5-dimethyl-2H-imidazol-2-id-1-yl)methyl]-4,5-dimethyl-2H-imidazol-2-ide;bis(2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);gold is Cc1n[c-]n(Cn2[c-]nc(C)c2C)c1C.[Au].[Au].[C-]#Cc1ccc2c(c1)-c1ccccc1[Si]2(C)C.[C-]#Cc1ccc2c(c1)-c1ccccc1[Si]2(C)C.
What is the InChIKey of 1-[(4,5-dimethyl-2H-imidazol-2-id-1-yl)methyl]-4,5-dimethyl-2H-imidazol-2-ide;bis(2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);gold?
The InChIKey is YIUXHZSKTZFFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H13Si.C11H14N4.2Au/c2*1-4-12-9-10-16-14(11-12)13-7-5-6-8-15(13)17(16,2)3;1-8-10(3)14(5-12-8)7-15-6-13-9(2)11(15)4;;/h2*5-11H,2-3H3;7H2,1-4H3;;/q2*-1;-2;;.
What are the key properties of 1-[(4,5-dimethyl-2H-imidazol-2-id-1-yl)methyl]-4,5-dimethyl-2H-imidazol-2-ide;bis(2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);gold?
1-[(4,5-dimethyl-2H-imidazol-2-id-1-yl)methyl]-4,5-dimethyl-2H-imidazol-2-ide;bis(2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);gold has a molecular weight of 1062.93 g/mol, XLogP of 6.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-2H-imidazol-2-id-1-yl)methyl]-4,5-dimethyl-2H-imidazol-2-ide;bis(2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);gold is sourced from PubChem (CID 164790408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).