1-(2H-benzimidazol-2-id-1-ylmethyl)-2H-benzimidazol-2-ide;3-ethynyl-9-methylcarbazole;gold;gold(1+)

C30H20Au2N5-2 — CID 164790337

IUPAC1-(2H-benzimidazol-2-id-1-ylmethyl)-2H-benzimidazol-2-ide;3-ethynyl-9-methylcarbazole;gold;gold(1+)
SMILES[Au+].[Au].[C-]#Cc1ccc2c(c1)c1ccccc1n2C.[c-]1nc2ccccc2n1Cn1[c-]nc2ccccc21
InChIInChI=1S/C15H10N4.C15H10N.2Au/c1-3-7-14-12(5-1)16-9-18(14)11-19-10-17-13-6-2-4-8-15(13)19;1-3-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15)2;;/h1-8H,11H2;4-10H,2H3;;/q-2;-1;;+1
InChIKeyCZBCIGOIBLVZDU-UHFFFAOYSA-N
MW844.46 g/mol
LogP5.76
Rot. Bonds2

About 1-(2H-benzimidazol-2-id-1-ylmethyl)-2H-benzimidazol-2-ide;3-ethynyl-9-methylcarbazole;gold;gold(1+)

1-(2H-benzimidazol-2-id-1-ylmethyl)-2H-benzimidazol-2-ide;3-ethynyl-9-methylcarbazole;gold;gold(1+) (PubChem CID 164790337) has the molecular formula C30H20Au2N5-2 and a molecular weight of 844.46 g/mol. Its IUPAC name is 1-(2H-benzimidazol-2-id-1-ylmethyl)-2H-benzimidazol-2-ide;3-ethynyl-9-methylcarbazole;gold;gold(1+).

Molecular Properties

Compound Name1-(2H-benzimidazol-2-id-1-ylmethyl)-2H-benzimidazol-2-ide;3-ethynyl-9-methylcarbazole;gold;gold(1+)
PubChem CID164790337
Molecular FormulaC30H20Au2N5-2
Molecular Weight844.46 g/mol
Exact Mass844.11
IUPAC Name1-(2H-benzimidazol-2-id-1-ylmethyl)-2H-benzimidazol-2-ide;3-ethynyl-9-methylcarbazole;gold;gold(1+)
SMILES[Au+].[Au].[C-]#Cc1ccc2c(c1)c1ccccc1n2C.[c-]1nc2ccccc2n1Cn1[c-]nc2ccccc21
InChIInChI=1S/C15H10N4.C15H10N.2Au/c1-3-7-14-12(5-1)16-9-18(14)11-19-10-17-13-6-2-4-8-15(13)19;1-3-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15)2;;/h1-8H,11H2;4-10H,2H3;;/q-2;-1;;+1
InChIKeyCZBCIGOIBLVZDU-UHFFFAOYSA-N
XLogP5.76
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500844.46
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S,5S)-1-[[(2S,5S)-2,5-dimethylphospholan-1-ium-1-yl]methyl]-2,5-dimethylphospholan-1-ium;bis(3-ethynyl-9-methylcarbazole);bis(gold(1+))
CID 164789956
bis(2-ethynyl-9-methylcarbazole);gold;N,N,N',N'-tetramethylmethanediamine
CID 164789918
bis(dimethylphosphaniumylmethyl(dimethyl)phosphanium);diphenylphosphaniumylmethyl-methyl-phenylphosphanium;tetrakis(2-ethynyl-9-methylcarbazole);tetrakis(3-ethynyl-9-methylcarbazole);octakis(gold(1+));methyl-[[methyl(phenyl)phosphaniumyl]methyl]-phenylphosphanium
CID 164955509
2-diphenylphosphaniumylethyl(diphenyl)phosphanium;2-ethynyl-9H-fluorene;3-ethynyl-9-methylcarbazole;bis(gold(1+))
CID 164789760
bis(2,7-bis(ethynyl)-9-methylcarbazole);bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+))
CID 164790459
bis(2-difluorophosphaniumylethyl(difluoro)phosphanium);difluorophosphaniumylmethyl(difluoro)phosphanium;bis(2-ethynyldibenzofuran);bis(3-ethynyldibenzofuran);2-ethynyl-9-methylcarbazole;tris(3-ethynyl-9-methylcarbazole);octakis(gold(1+));methoxy-[[methoxy(methyl)phosphaniumyl]methyl]-methylphosphanium
CID 165091452
ethane;bis(9-methylcarbazole)
CID 159710949
2-dimethylphosphaniumylethyl(dimethyl)phosphanium;dimethylphosphaniumylmethyl(dimethyl)phosphanium;diphenylphosphaniumylmethyl-methyl-phenylphosphanium;bis(3-ethynyldibenzofuran);tris(2-ethynyl-9-methylcarbazole);tris(3-ethynyl-9-methylcarbazole);octakis(gold(1+));methyl-[[methyl(phenyl)phosphaniumyl]methyl]-phenylphosphanium
CID 165079472
ethane;9-methylcarbazole;triphenylene
CID 142356751
ethane;9-methyl-3-(9-methylcarbazol-3-yl)carbazole
CID 158738351
10-methylindolo[3,2-b]quinoline
CID 10681089
N,N-dimethyl-1-(9-methylcarbazol-3-yl)methanamine
CID 23264168

Frequently Asked Questions

What is the IUPAC name of 1-(2H-benzimidazol-2-id-1-ylmethyl)-2H-benzimidazol-2-ide;3-ethynyl-9-methylcarbazole;gold;gold(1+)?
The IUPAC name of 1-(2H-benzimidazol-2-id-1-ylmethyl)-2H-benzimidazol-2-ide;3-ethynyl-9-methylcarbazole;gold;gold(1+) (CID 164790337) is 1-(2H-benzimidazol-2-id-1-ylmethyl)-2H-benzimidazol-2-ide;3-ethynyl-9-methylcarbazole;gold;gold(1+).
What is the SMILES notation for 1-(2H-benzimidazol-2-id-1-ylmethyl)-2H-benzimidazol-2-ide;3-ethynyl-9-methylcarbazole;gold;gold(1+)?
The canonical SMILES for 1-(2H-benzimidazol-2-id-1-ylmethyl)-2H-benzimidazol-2-ide;3-ethynyl-9-methylcarbazole;gold;gold(1+) is [Au+].[Au].[C-]#Cc1ccc2c(c1)c1ccccc1n2C.[c-]1nc2ccccc2n1Cn1[c-]nc2ccccc21.
What is the InChIKey of 1-(2H-benzimidazol-2-id-1-ylmethyl)-2H-benzimidazol-2-ide;3-ethynyl-9-methylcarbazole;gold;gold(1+)?
The InChIKey is CZBCIGOIBLVZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4.C15H10N.2Au/c1-3-7-14-12(5-1)16-9-18(14)11-19-10-17-13-6-2-4-8-15(13)19;1-3-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15)2;;/h1-8H,11H2;4-10H,2H3;;/q-2;-1;;+1.
What are the key properties of 1-(2H-benzimidazol-2-id-1-ylmethyl)-2H-benzimidazol-2-ide;3-ethynyl-9-methylcarbazole;gold;gold(1+)?
1-(2H-benzimidazol-2-id-1-ylmethyl)-2H-benzimidazol-2-ide;3-ethynyl-9-methylcarbazole;gold;gold(1+) has a molecular weight of 844.46 g/mol, XLogP of 5.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-benzimidazol-2-id-1-ylmethyl)-2H-benzimidazol-2-ide;3-ethynyl-9-methylcarbazole;gold;gold(1+) is sourced from PubChem (CID 164790337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).