1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-1-ium-2-ide);chlorogold;2-(9,9-diethyl-7-ethynylfluoren-2-yl)-6-ethynyl-1,3-benzothiazole;2-(9,9-diethyl-7-ethynylfluoren-2-yl)-6-ethynyl-1,3-benzothiazole;gold

C119H113Au3ClN8S2-3 — CID 162285775

IUPAC1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-1-ium-2-ide);chlorogold;2-(9,9-diethyl-7-ethynylfluoren-2-yl)-6-ethynyl-1,3-benzothiazole;2-(9,9-diethyl-7-ethynylfluoren-2-yl)-6-ethynyl-1,3-benzothiazole;gold
SMILESC#Cc1ccc2c(c1)C(CC)(CC)c1cc(-c3nc4ccc(C#C)cc4s3)ccc1-2.Cc1cc(C)c(-n2[c-][n+](-c3c(C)cc(C)cc3C)cc2)c(C)c1.Cc1cc(C)c(-n2[c-][n+](-c3c(C)cc(C)cc3C)cc2)c(C)c1.Cc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)[CH-]2)c(C)c1.Cl[Au].[Au].[Au].[C-]#Cc1ccc2c(c1)C(CC)(CC)c1cc(-c3nc4ccc(C#[C-])cc4s3)ccc1-2
InChIInChI=1S/C28H21NS.C28H19NS.C21H25N2.2C21H24N2.3Au.ClH/c2*1-5-18-9-12-21-22-13-11-20(17-24(22)28(7-3,8-4)23(21)15-18)27-29-25-14-10-19(6-2)16-26(25)30-27;3*1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;;;;/h1-2,9-17H,7-8H2,3-4H3;9-17H,7-8H2,3-4H3;7-13H,1-6H3;2*7-12H,1-6H3;;;;1H/q;-2;-1;;;;;+1;/p-1
InChIKeyDWNFTYGSOZUVHI-UHFFFAOYSA-M
MW2345.76 g/mol
LogP28.88
Rot. Bonds12

About 1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-1-ium-2-ide);chlorogold;2-(9,9-diethyl-7-ethynylfluoren-2-yl)-6-ethynyl-1,3-benzothiazole;2-(9,9-diethyl-7-ethynylfluoren-2-yl)-6-ethynyl-1,3-benzothiazole;gold

1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-1-ium-2-ide);chlorogold;2-(9,9-diethyl-7-ethynylfluoren-2-yl)-6-ethynyl-1,3-benzothiazole;2-(9,9-diethyl-7-ethynylfluoren-2-yl)-6-ethynyl-1,3-benzothiazole;gold (PubChem CID 162285775) has the molecular formula C119H113Au3ClN8S2-3 and a molecular weight of 2345.76 g/mol. Its IUPAC name is 1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-1-ium-2-ide);chlorogold;2-(9,9-diethyl-7-ethynylfluoren-2-yl)-6-ethynyl-1,3-benzothiazole;2-(9,9-diethyl-7-ethynylfluoren-2-yl)-6-ethynyl-1,3-benzothiazole;gold.

Molecular Properties

Compound Name1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-1-ium-2-ide);chlorogold;2-(9,9-diethyl-7-ethynylfluoren-2-yl)-6-ethynyl-1,3-benzothiazole;2-(9,9-diethyl-7-ethynylfluoren-2-yl)-6-ethynyl-1,3-benzothiazole;gold
PubChem CID162285775
Molecular FormulaC119H113Au3ClN8S2-3
Molecular Weight2345.76 g/mol
Exact Mass2343.72
IUPAC Name1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-1-ium-2-ide);chlorogold;2-(9,9-diethyl-7-ethynylfluoren-2-yl)-6-ethynyl-1,3-benzothiazole;2-(9,9-diethyl-7-ethynylfluoren-2-yl)-6-ethynyl-1,3-benzothiazole;gold
SMILESC#Cc1ccc2c(c1)C(CC)(CC)c1cc(-c3nc4ccc(C#C)cc4s3)ccc1-2.Cc1cc(C)c(-n2[c-][n+](-c3c(C)cc(C)cc3C)cc2)c(C)c1.Cc1cc(C)c(-n2[c-][n+](-c3c(C)cc(C)cc3C)cc2)c(C)c1.Cc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)[CH-]2)c(C)c1.Cl[Au].[Au].[Au].[C-]#Cc1ccc2c(c1)C(CC)(CC)c1cc(-c3nc4ccc(C#[C-])cc4s3)ccc1-2
InChIInChI=1S/C28H21NS.C28H19NS.C21H25N2.2C21H24N2.3Au.ClH/c2*1-5-18-9-12-21-22-13-11-20(17-24(22)28(7-3,8-4)23(21)15-18)27-29-25-14-10-19(6-2)16-26(25)30-27;3*1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;;;;/h1-2,9-17H,7-8H2,3-4H3;9-17H,7-8H2,3-4H3;7-13H,1-6H3;2*7-12H,1-6H3;;;;1H/q;-2;-1;;;;;+1;/p-1
InChIKeyDWNFTYGSOZUVHI-UHFFFAOYSA-M
XLogP28.88
TPSA49.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms133
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002345.76
LogP ≤ 528.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-1-ium-2-ide);chlorogold;2-(9,9-diethyl-7-ethynylfluoren-2-yl)-6-ethynyl-1,3-benzothiazole;2-(9,9-diethyl-7-ethynylfluoren-2-yl)-6-ethynyl-1,3-benzothiazole;gold with MolForge

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Related Compounds

2-(9,9-diethyl-7-ethynylfluoren-2-yl)-6-ethynyl-1,3-benzothiazole;bis(gold(1+));bis(trimethylphosphanium)
CID 156628173
7-(1,3-benzothiazol-2-yl)-9,9-diethylfluoren-2-amine
CID 18368918
2-[7-[4-[7-(1,3-benzothiazol-2-yl)-9,9-diethylfluoren-2-yl]piperazin-1-yl]-9,9-diethylfluoren-2-yl]-1,3-benzothiazole
CID 135336264
2-[9,9-diethyl-7-[4-(2-trimethylsilylethynyl)-1,3-benzothiazol-2-yl]fluoren-2-yl]ethynyl-trimethylsilane
CID 172770583
7-(1,3-benzothiazol-2-yl)-N-(2,6-dimethylphenyl)-9,9-diethyl-N-(2-methylphenyl)fluoren-2-amine
CID 140935185
3-[4-[7-(6-butyl-1,3-benzothiazol-2-yl)-9,9-diethylfluoren-2-yl]phenyl]pentan-3-amine
CID 143584898
2-amino-5-bromobenzenethiol;6-bromo-2-(7-bromo-9,9-diethylfluoren-2-yl)-1,3-benzothiazole;2-bromo-9,9-diethyl-7-methoxyfluorene
CID 160945597
4-(6-chloro-1,3-benzothiazol-2-yl)-2-methylaniline
CID 45361803
2-(4-methoxyphenyl)-6-methyl-1,3-benzothiazole
CID 12939261
2-[22-(1,3-benzothiazol-2-yl)-5,5,15,15,25,25-hexamethyl-8-heptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaenyl]-1,3-benzothiazole
CID 59413419
2-(9,9-dimethylfluoren-2-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-benzothiazole
CID 147671803
2-N,7-N-bis[4-(1,3-benzothiazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)fluorene-2,7-diamine
CID 155473435

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-1-ium-2-ide);chlorogold;2-(9,9-diethyl-7-ethynylfluoren-2-yl)-6-ethynyl-1,3-benzothiazole;2-(9,9-diethyl-7-ethynylfluoren-2-yl)-6-ethynyl-1,3-benzothiazole;gold?
The IUPAC name of 1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-1-ium-2-ide);chlorogold;2-(9,9-diethyl-7-ethynylfluoren-2-yl)-6-ethynyl-1,3-benzothiazole;2-(9,9-diethyl-7-ethynylfluoren-2-yl)-6-ethynyl-1,3-benzothiazole;gold (CID 162285775) is 1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-1-ium-2-ide);chlorogold;2-(9,9-diethyl-7-ethynylfluoren-2-yl)-6-ethynyl-1,3-benzothiazole;2-(9,9-diethyl-7-ethynylfluoren-2-yl)-6-ethynyl-1,3-benzothiazole;gold.
What is the SMILES notation for 1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-1-ium-2-ide);chlorogold;2-(9,9-diethyl-7-ethynylfluoren-2-yl)-6-ethynyl-1,3-benzothiazole;2-(9,9-diethyl-7-ethynylfluoren-2-yl)-6-ethynyl-1,3-benzothiazole;gold?
The canonical SMILES for 1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-1-ium-2-ide);chlorogold;2-(9,9-diethyl-7-ethynylfluoren-2-yl)-6-ethynyl-1,3-benzothiazole;2-(9,9-diethyl-7-ethynylfluoren-2-yl)-6-ethynyl-1,3-benzothiazole;gold is C#Cc1ccc2c(c1)C(CC)(CC)c1cc(-c3nc4ccc(C#C)cc4s3)ccc1-2.Cc1cc(C)c(-n2[c-][n+](-c3c(C)cc(C)cc3C)cc2)c(C)c1.Cc1cc(C)c(-n2[c-][n+](-c3c(C)cc(C)cc3C)cc2)c(C)c1.Cc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)[CH-]2)c(C)c1.Cl[Au].[Au].[Au].[C-]#Cc1ccc2c(c1)C(CC)(CC)c1cc(-c3nc4ccc(C#[C-])cc4s3)ccc1-2.
What is the InChIKey of 1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-1-ium-2-ide);chlorogold;2-(9,9-diethyl-7-ethynylfluoren-2-yl)-6-ethynyl-1,3-benzothiazole;2-(9,9-diethyl-7-ethynylfluoren-2-yl)-6-ethynyl-1,3-benzothiazole;gold?
The InChIKey is DWNFTYGSOZUVHI-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H21NS.C28H19NS.C21H25N2.2C21H24N2.3Au.ClH/c2*1-5-18-9-12-21-22-13-11-20(17-24(22)28(7-3,8-4)23(21)15-18)27-29-25-14-10-19(6-2)16-26(25)30-27;3*1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;;;;/h1-2,9-17H,7-8H2,3-4H3;9-17H,7-8H2,3-4H3;7-13H,1-6H3;2*7-12H,1-6H3;;;;1H/q;-2;-1;;;;;+1;/p-1.
What are the key properties of 1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-1-ium-2-ide);chlorogold;2-(9,9-diethyl-7-ethynylfluoren-2-yl)-6-ethynyl-1,3-benzothiazole;2-(9,9-diethyl-7-ethynylfluoren-2-yl)-6-ethynyl-1,3-benzothiazole;gold?
1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-1-ium-2-ide);chlorogold;2-(9,9-diethyl-7-ethynylfluoren-2-yl)-6-ethynyl-1,3-benzothiazole;2-(9,9-diethyl-7-ethynylfluoren-2-yl)-6-ethynyl-1,3-benzothiazole;gold has a molecular weight of 2345.76 g/mol, XLogP of 28.88, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-1-ium-2-ide);chlorogold;2-(9,9-diethyl-7-ethynylfluoren-2-yl)-6-ethynyl-1,3-benzothiazole;2-(9,9-diethyl-7-ethynylfluoren-2-yl)-6-ethynyl-1,3-benzothiazole;gold is sourced from PubChem (CID 162285775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).