bis(2,6-bis(ethynyl)-9-phenylcarbazole);bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+))

C104H74Au4N2P4+4 — CID 164790070

IUPACbis(2,6-bis(ethynyl)-9-phenylcarbazole);bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+))
SMILES[Au+].[Au+].[Au+].[Au+].[C-]#Cc1ccc2c(c1)c1ccc(C#[C-])cc1n2-c1ccccc1.[C-]#Cc1ccc2c(c1)c1ccc(C#[C-])cc1n2-c1ccccc1.c1ccc([PH+](c2ccccc2)c2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C30H24P2.2C22H11N.4Au/c2*1-5-15-25(16-6-1)31(26-17-7-2-8-18-26)29-23-13-14-24-30(29)32(27-19-9-3-10-20-27)28-21-11-4-12-22-28;2*1-3-16-11-13-21-20(14-16)19-12-10-17(4-2)15-22(19)23(21)18-8-6-5-7-9-18;;;;/h2*1-24H;2*5-15H;;;;/q;;2*-2;4*+1/p+4
InChIKeyPXFWTWWLQROKIO-UHFFFAOYSA-R
MW2263.51 g/mol
LogP18.64
Rot. Bonds14

About bis(2,6-bis(ethynyl)-9-phenylcarbazole);bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+))

bis(2,6-bis(ethynyl)-9-phenylcarbazole);bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+)) (PubChem CID 164790070) has the molecular formula C104H74Au4N2P4+4 and a molecular weight of 2263.51 g/mol. Its IUPAC name is bis(2,6-bis(ethynyl)-9-phenylcarbazole);bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+)).

Molecular Properties

Compound Namebis(2,6-bis(ethynyl)-9-phenylcarbazole);bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+))
PubChem CID164790070
Molecular FormulaC104H74Au4N2P4+4
Molecular Weight2263.51 g/mol
Exact Mass2262.34
IUPAC Namebis(2,6-bis(ethynyl)-9-phenylcarbazole);bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+))
SMILES[Au+].[Au+].[Au+].[Au+].[C-]#Cc1ccc2c(c1)c1ccc(C#[C-])cc1n2-c1ccccc1.[C-]#Cc1ccc2c(c1)c1ccc(C#[C-])cc1n2-c1ccccc1.c1ccc([PH+](c2ccccc2)c2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C30H24P2.2C22H11N.4Au/c2*1-5-15-25(16-6-1)31(26-17-7-2-8-18-26)29-23-13-14-24-30(29)32(27-19-9-3-10-20-27)28-21-11-4-12-22-28;2*1-3-16-11-13-21-20(14-16)19-12-10-17(4-2)15-22(19)23(21)18-8-6-5-7-9-18;;;;/h2*1-24H;2*5-15H;;;;/q;;2*-2;4*+1/p+4
InChIKeyPXFWTWWLQROKIO-UHFFFAOYSA-R
XLogP18.64
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002263.51
LogP ≤ 518.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze bis(2,6-bis(ethynyl)-9-phenylcarbazole);bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+)) with MolForge

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Related Compounds

bis(2,7-bis(ethynyl)-9-methylcarbazole);bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+))
CID 164790459
2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(2-ethynyl-9-phenylcarbazole);bis(gold(1+))
CID 164790139
(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(2-ethynyltriphenylene);bis(gold(1+))
CID 162499829
3,6-bis(ethynyl)-9H-fluorene;3,6-bis(ethynyl)-9-methylcarbazole;bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+))
CID 164790417
bis(3,7-bis(ethynyl)dibenzothiophene);bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+))
CID 164789740
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
6-methyl-9-phenylcarbazole-2-carbonitrile
CID 129176191
6-amino-9-phenylcarbazole-2-carbonitrile
CID 147955073
7-tert-butyl-9-phenylcarbazole-3-carbonitrile
CID 164818835
6-(4-carbazol-9-ylphenyl)-9-phenylcarbazole-2-carbonitrile
CID 126690271
9-phenyl-3-(2-phenylethynyl)carbazole
CID 162470888
6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile
CID 134597724

Frequently Asked Questions

What is the IUPAC name of bis(2,6-bis(ethynyl)-9-phenylcarbazole);bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+))?
The IUPAC name of bis(2,6-bis(ethynyl)-9-phenylcarbazole);bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+)) (CID 164790070) is bis(2,6-bis(ethynyl)-9-phenylcarbazole);bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+)).
What is the SMILES notation for bis(2,6-bis(ethynyl)-9-phenylcarbazole);bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+))?
The canonical SMILES for bis(2,6-bis(ethynyl)-9-phenylcarbazole);bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+)) is [Au+].[Au+].[Au+].[Au+].[C-]#Cc1ccc2c(c1)c1ccc(C#[C-])cc1n2-c1ccccc1.[C-]#Cc1ccc2c(c1)c1ccc(C#[C-])cc1n2-c1ccccc1.c1ccc([PH+](c2ccccc2)c2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(2,6-bis(ethynyl)-9-phenylcarbazole);bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+))?
The InChIKey is PXFWTWWLQROKIO-UHFFFAOYSA-R. The full InChI is InChI=1S/2C30H24P2.2C22H11N.4Au/c2*1-5-15-25(16-6-1)31(26-17-7-2-8-18-26)29-23-13-14-24-30(29)32(27-19-9-3-10-20-27)28-21-11-4-12-22-28;2*1-3-16-11-13-21-20(14-16)19-12-10-17(4-2)15-22(19)23(21)18-8-6-5-7-9-18;;;;/h2*1-24H;2*5-15H;;;;/q;;2*-2;4*+1/p+4.
What are the key properties of bis(2,6-bis(ethynyl)-9-phenylcarbazole);bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+))?
bis(2,6-bis(ethynyl)-9-phenylcarbazole);bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+)) has a molecular weight of 2263.51 g/mol, XLogP of 18.64, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,6-bis(ethynyl)-9-phenylcarbazole);bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+)) is sourced from PubChem (CID 164790070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).