bis(2-ethynyl-9-methylcarbazole);gold;N,N,N',N'-tetramethylmethanediamine

C35H34Au2N4-2 — CID 164789918

IUPACbis(2-ethynyl-9-methylcarbazole);gold;N,N,N',N'-tetramethylmethanediamine
SMILESCN(C)CN(C)C.[Au].[Au].[C-]#Cc1ccc2c3ccccc3n(C)c2c1.[C-]#Cc1ccc2c3ccccc3n(C)c2c1
InChIInChI=1S/2C15H10N.C5H14N2.2Au/c2*1-3-11-8-9-13-12-6-4-5-7-14(12)16(2)15(13)10-11;1-6(2)5-7(3)4;;/h2*4-10H,2H3;5H2,1-4H3;;/q2*-1;;;
InChIKeyGIAGDJXWPYAPET-UHFFFAOYSA-N
MW904.62 g/mol
LogP6.60
Rot. Bonds2

About bis(2-ethynyl-9-methylcarbazole);gold;N,N,N',N'-tetramethylmethanediamine

bis(2-ethynyl-9-methylcarbazole);gold;N,N,N',N'-tetramethylmethanediamine (PubChem CID 164789918) has the molecular formula C35H34Au2N4-2 and a molecular weight of 904.62 g/mol. Its IUPAC name is bis(2-ethynyl-9-methylcarbazole);gold;N,N,N',N'-tetramethylmethanediamine.

Molecular Properties

Compound Namebis(2-ethynyl-9-methylcarbazole);gold;N,N,N',N'-tetramethylmethanediamine
PubChem CID164789918
Molecular FormulaC35H34Au2N4-2
Molecular Weight904.62 g/mol
Exact Mass904.21
IUPAC Namebis(2-ethynyl-9-methylcarbazole);gold;N,N,N',N'-tetramethylmethanediamine
SMILESCN(C)CN(C)C.[Au].[Au].[C-]#Cc1ccc2c3ccccc3n(C)c2c1.[C-]#Cc1ccc2c3ccccc3n(C)c2c1
InChIInChI=1S/2C15H10N.C5H14N2.2Au/c2*1-3-11-8-9-13-12-6-4-5-7-14(12)16(2)15(13)10-11;1-6(2)5-7(3)4;;/h2*4-10H,2H3;5H2,1-4H3;;/q2*-1;;;
InChIKeyGIAGDJXWPYAPET-UHFFFAOYSA-N
XLogP6.60
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500904.62
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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
bis(2,7-bis(ethynyl)-9-methylcarbazole);bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+))
CID 164790459
1-(2H-benzimidazol-2-id-1-ylmethyl)-2H-benzimidazol-2-ide;3-ethynyl-9-methylcarbazole;gold;gold(1+)
CID 164790337
(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-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
N,N-dimethyl-1-(9-methylcarbazol-3-yl)methanamine
CID 23264168
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
2-ethyl-9-methylcarbazole
CID 71038255
ethane;9-methylcarbazole;triphenylene
CID 142356751
2-diphenylphosphaniumylethyl(diphenyl)phosphanium;2-ethynyl-9H-fluorene;3-ethynyl-9-methylcarbazole;bis(gold(1+))
CID 164789760
4-[2-(10-methyl-9-oxoacridin-3-yl)ethynyl]benzonitrile
CID 25011614

Frequently Asked Questions

What is the IUPAC name of bis(2-ethynyl-9-methylcarbazole);gold;N,N,N',N'-tetramethylmethanediamine?
The IUPAC name of bis(2-ethynyl-9-methylcarbazole);gold;N,N,N',N'-tetramethylmethanediamine (CID 164789918) is bis(2-ethynyl-9-methylcarbazole);gold;N,N,N',N'-tetramethylmethanediamine.
What is the SMILES notation for bis(2-ethynyl-9-methylcarbazole);gold;N,N,N',N'-tetramethylmethanediamine?
The canonical SMILES for bis(2-ethynyl-9-methylcarbazole);gold;N,N,N',N'-tetramethylmethanediamine is CN(C)CN(C)C.[Au].[Au].[C-]#Cc1ccc2c3ccccc3n(C)c2c1.[C-]#Cc1ccc2c3ccccc3n(C)c2c1.
What is the InChIKey of bis(2-ethynyl-9-methylcarbazole);gold;N,N,N',N'-tetramethylmethanediamine?
The InChIKey is GIAGDJXWPYAPET-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H10N.C5H14N2.2Au/c2*1-3-11-8-9-13-12-6-4-5-7-14(12)16(2)15(13)10-11;1-6(2)5-7(3)4;;/h2*4-10H,2H3;5H2,1-4H3;;/q2*-1;;;.
What are the key properties of bis(2-ethynyl-9-methylcarbazole);gold;N,N,N',N'-tetramethylmethanediamine?
bis(2-ethynyl-9-methylcarbazole);gold;N,N,N',N'-tetramethylmethanediamine has a molecular weight of 904.62 g/mol, XLogP of 6.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-ethynyl-9-methylcarbazole);gold;N,N,N',N'-tetramethylmethanediamine is sourced from PubChem (CID 164789918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).