bis(3,6-bis(ethynyl)-9,9-dimethylfluorene);bis(3,6-bis(ethynyl)-9,9-diphenylfluorene);bis(3,6-bis(ethynyl)-9H-fluorene);bis(3,6-bis(ethynyl)-9-methylcarbazole);octakis(4-diphenylphosphaniumylbutyl(diphenyl)phosphanium);hexadecakis(gold(1+))

C388H330Au16N2P16+16 — CID 164972306

IUPACbis(3,6-bis(ethynyl)-9,9-dimethylfluorene);bis(3,6-bis(ethynyl)-9,9-diphenylfluorene);bis(3,6-bis(ethynyl)-9H-fluorene);bis(3,6-bis(ethynyl)-9-methylcarbazole);octakis(4-diphenylphosphaniumylbutyl(diphenyl)phosphanium);hexadecakis(gold(1+))
SMILES[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[C-]#Cc1ccc2c(c1)-c1cc(C#[C-])ccc1C2.[C-]#Cc1ccc2c(c1)-c1cc(C#[C-])ccc1C2.[C-]#Cc1ccc2c(c1)-c1cc(C#[C-])ccc1C2(C)C.[C-]#Cc1ccc2c(c1)-c1cc(C#[C-])ccc1C2(C)C.[C-]#Cc1ccc2c(c1)-c1cc(C#[C-])ccc1C2(c1ccccc1)c1ccccc1.[C-]#Cc1ccc2c(c1)-c1cc(C#[C-])ccc1C2(c1ccccc1)c1ccccc1.[C-]#Cc1ccc2c(c1)c1cc(C#[C-])ccc1n2C.[C-]#Cc1ccc2c(c1)c1cc(C#[C-])ccc1n2C.c1ccc([PH+](CCCC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](CCCC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](CCCC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](CCCC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](CCCC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](CCCC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](CCCC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](CCCC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C29H16.8C28H28P2.2C19H12.2C17H9N.2C17H8.16Au/c2*1-3-21-15-17-27-25(19-21)26-20-22(4-2)16-18-28(26)29(27,23-11-7-5-8-12-23)24-13-9-6-10-14-24;8*1-5-15-25(16-6-1)29(26-17-7-2-8-18-26)23-13-14-24-30(27-19-9-3-10-20-27)28-21-11-4-12-22-28;2*1-5-13-7-9-17-15(11-13)16-12-14(6-2)8-10-18(16)19(17,3)4;2*1-4-12-6-8-16-14(10-12)15-11-13(5-2)7-9-17(15)18(16)3;2*1-3-12-5-7-14-11-15-8-6-13(4-2)10-17(15)16(14)9-12;;;;;;;;;;;;;;;;/h2*5-20H;8*1-12,15-22H,13-14,23-24H2;2*7-12H,3-4H3;2*6-11H,3H3;2*5-10H,11H2;;;;;;;;;;;;;;;;/q2*-2;;;;;;;;;6*-2;16*+1/p+16
InChIKeyXZRYSUJPTOVOIT-UHFFFAOYSA-A
MW8667.98 g/mol
LogP76.21
Rot. Bonds76

About bis(3,6-bis(ethynyl)-9,9-dimethylfluorene);bis(3,6-bis(ethynyl)-9,9-diphenylfluorene);bis(3,6-bis(ethynyl)-9H-fluorene);bis(3,6-bis(ethynyl)-9-methylcarbazole);octakis(4-diphenylphosphaniumylbutyl(diphenyl)phosphanium);hexadecakis(gold(1+))

bis(3,6-bis(ethynyl)-9,9-dimethylfluorene);bis(3,6-bis(ethynyl)-9,9-diphenylfluorene);bis(3,6-bis(ethynyl)-9H-fluorene);bis(3,6-bis(ethynyl)-9-methylcarbazole);octakis(4-diphenylphosphaniumylbutyl(diphenyl)phosphanium);hexadecakis(gold(1+)) (PubChem CID 164972306) has the molecular formula C388H330Au16N2P16+16 and a molecular weight of 8667.98 g/mol. Its IUPAC name is bis(3,6-bis(ethynyl)-9,9-dimethylfluorene);bis(3,6-bis(ethynyl)-9,9-diphenylfluorene);bis(3,6-bis(ethynyl)-9H-fluorene);bis(3,6-bis(ethynyl)-9-methylcarbazole);octakis(4-diphenylphosphaniumylbutyl(diphenyl)phosphanium);hexadecakis(gold(1+)).

Molecular Properties

Compound Namebis(3,6-bis(ethynyl)-9,9-dimethylfluorene);bis(3,6-bis(ethynyl)-9,9-diphenylfluorene);bis(3,6-bis(ethynyl)-9H-fluorene);bis(3,6-bis(ethynyl)-9-methylcarbazole);octakis(4-diphenylphosphaniumylbutyl(diphenyl)phosphanium);hexadecakis(gold(1+))
PubChem CID164972306
Molecular FormulaC388H330Au16N2P16+16
Molecular Weight8667.98 g/mol
Exact Mass8663.62
IUPAC Namebis(3,6-bis(ethynyl)-9,9-dimethylfluorene);bis(3,6-bis(ethynyl)-9,9-diphenylfluorene);bis(3,6-bis(ethynyl)-9H-fluorene);bis(3,6-bis(ethynyl)-9-methylcarbazole);octakis(4-diphenylphosphaniumylbutyl(diphenyl)phosphanium);hexadecakis(gold(1+))
SMILES[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[C-]#Cc1ccc2c(c1)-c1cc(C#[C-])ccc1C2.[C-]#Cc1ccc2c(c1)-c1cc(C#[C-])ccc1C2.[C-]#Cc1ccc2c(c1)-c1cc(C#[C-])ccc1C2(C)C.[C-]#Cc1ccc2c(c1)-c1cc(C#[C-])ccc1C2(C)C.[C-]#Cc1ccc2c(c1)-c1cc(C#[C-])ccc1C2(c1ccccc1)c1ccccc1.[C-]#Cc1ccc2c(c1)-c1cc(C#[C-])ccc1C2(c1ccccc1)c1ccccc1.[C-]#Cc1ccc2c(c1)c1cc(C#[C-])ccc1n2C.[C-]#Cc1ccc2c(c1)c1cc(C#[C-])ccc1n2C.c1ccc([PH+](CCCC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](CCCC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](CCCC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](CCCC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](CCCC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](CCCC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](CCCC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](CCCC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C29H16.8C28H28P2.2C19H12.2C17H9N.2C17H8.16Au/c2*1-3-21-15-17-27-25(19-21)26-20-22(4-2)16-18-28(26)29(27,23-11-7-5-8-12-23)24-13-9-6-10-14-24;8*1-5-15-25(16-6-1)29(26-17-7-2-8-18-26)23-13-14-24-30(27-19-9-3-10-20-27)28-21-11-4-12-22-28;2*1-5-13-7-9-17-15(11-13)16-12-14(6-2)8-10-18(16)19(17,3)4;2*1-4-12-6-8-16-14(10-12)15-11-13(5-2)7-9-17(15)18(16)3;2*1-3-12-5-7-14-11-15-8-6-13(4-2)10-17(15)16(14)9-12;;;;;;;;;;;;;;;;/h2*5-20H;8*1-12,15-22H,13-14,23-24H2;2*7-12H,3-4H3;2*6-11H,3H3;2*5-10H,11H2;;;;;;;;;;;;;;;;/q2*-2;;;;;;;;;6*-2;16*+1/p+16
InChIKeyXZRYSUJPTOVOIT-UHFFFAOYSA-A
XLogP76.21
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds76
Heavy Atoms422
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5008667.98
LogP ≤ 576.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze bis(3,6-bis(ethynyl)-9,9-dimethylfluorene);bis(3,6-bis(ethynyl)-9,9-diphenylfluorene);bis(3,6-bis(ethynyl)-9H-fluorene);bis(3,6-bis(ethynyl)-9-methylcarbazole);octakis(4-diphenylphosphaniumylbutyl(diphenyl)phosphanium);hexadecakis(gold(1+)) with MolForge

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Related Compounds

bis(2,6-bis(ethynyl)-9,9-dimethylfluorene);bis(2,6-bis(ethynyl)-9,9-diphenylfluorene);bis(2,6-bis(ethynyl)-9H-fluorene);bis(2,6-bis(ethynyl)-9-methylcarbazole);octakis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);hexadecakis(gold(1+))
CID 165019213
2,6-bis(ethynyl)-9,9-dimethylfluorene;2,6-bis(ethynyl)-9H-fluorene;bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);tetrakis(gold(1+))
CID 164789769
3,6-bis(ethynyl)-9H-fluorene;3,6-bis(ethynyl)-9-methylcarbazole;bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+))
CID 164790417
2,8-bis(ethynyl)dibenzofuran;3,6-bis(ethynyl)-9,9-dimethylfluorene;bis(2,8-bis(ethynyl)-5,5-diphenylbenzo[b][1]benzosilole);tris(3,6-bis(ethynyl)-9H-fluorene);3,6-bis(ethynyl)-9-methylcarbazole;octakis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);hexadecakis(gold(1+))
CID 164997658
bis(2,7-bis(ethynyl)-9,9-dimethylfluorene);bis(2,7-bis(ethynyl)-9,9-diphenylfluorene);bis(2,7-bis(ethynyl)-9H-fluorene);bis(2,7-bis(ethynyl)-9-methylcarbazole);octakis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);hexadecakis(gold(1+))
CID 165073479
bis(2,7-bis(ethynyl)-9H-fluorene);bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);tetrakis(gold(1+))
CID 164789840
disilver;diphenylphosphaniumylmethyl(diphenyl)phosphanium;2-ethynyl-9,9-diphenylfluorene;3-ethynyl-9,9-diphenylfluorene
CID 164790310
3,7-bis(ethynyl)dibenzofuran;2,7-bis(ethynyl)-9H-fluorene;4-diphenylphosphaniumylbutyl(diphenyl)phosphanium;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;tetrakis(gold(1+))
CID 164789437
diphenylphosphaniumylmethyl(diphenyl)phosphanium;2-ethynyl-9H-fluorene;3-ethynyl-9H-fluorene;bis(gold(1+))
CID 164789967
disilver;diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynyl-9,9-diphenylfluorene)
CID 164789687
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(3,7-bis(ethynyl)dibenzofuran);bis(4-diphenylphosphaniumylbutyl(diphenyl)phosphanium);tetrakis(gold(1+))
CID 164790205

Frequently Asked Questions

What is the IUPAC name of bis(3,6-bis(ethynyl)-9,9-dimethylfluorene);bis(3,6-bis(ethynyl)-9,9-diphenylfluorene);bis(3,6-bis(ethynyl)-9H-fluorene);bis(3,6-bis(ethynyl)-9-methylcarbazole);octakis(4-diphenylphosphaniumylbutyl(diphenyl)phosphanium);hexadecakis(gold(1+))?
The IUPAC name of bis(3,6-bis(ethynyl)-9,9-dimethylfluorene);bis(3,6-bis(ethynyl)-9,9-diphenylfluorene);bis(3,6-bis(ethynyl)-9H-fluorene);bis(3,6-bis(ethynyl)-9-methylcarbazole);octakis(4-diphenylphosphaniumylbutyl(diphenyl)phosphanium);hexadecakis(gold(1+)) (CID 164972306) is bis(3,6-bis(ethynyl)-9,9-dimethylfluorene);bis(3,6-bis(ethynyl)-9,9-diphenylfluorene);bis(3,6-bis(ethynyl)-9H-fluorene);bis(3,6-bis(ethynyl)-9-methylcarbazole);octakis(4-diphenylphosphaniumylbutyl(diphenyl)phosphanium);hexadecakis(gold(1+)).
What is the SMILES notation for bis(3,6-bis(ethynyl)-9,9-dimethylfluorene);bis(3,6-bis(ethynyl)-9,9-diphenylfluorene);bis(3,6-bis(ethynyl)-9H-fluorene);bis(3,6-bis(ethynyl)-9-methylcarbazole);octakis(4-diphenylphosphaniumylbutyl(diphenyl)phosphanium);hexadecakis(gold(1+))?
The canonical SMILES for bis(3,6-bis(ethynyl)-9,9-dimethylfluorene);bis(3,6-bis(ethynyl)-9,9-diphenylfluorene);bis(3,6-bis(ethynyl)-9H-fluorene);bis(3,6-bis(ethynyl)-9-methylcarbazole);octakis(4-diphenylphosphaniumylbutyl(diphenyl)phosphanium);hexadecakis(gold(1+)) is [Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[C-]#Cc1ccc2c(c1)-c1cc(C#[C-])ccc1C2.[C-]#Cc1ccc2c(c1)-c1cc(C#[C-])ccc1C2.[C-]#Cc1ccc2c(c1)-c1cc(C#[C-])ccc1C2(C)C.[C-]#Cc1ccc2c(c1)-c1cc(C#[C-])ccc1C2(C)C.[C-]#Cc1ccc2c(c1)-c1cc(C#[C-])ccc1C2(c1ccccc1)c1ccccc1.[C-]#Cc1ccc2c(c1)-c1cc(C#[C-])ccc1C2(c1ccccc1)c1ccccc1.[C-]#Cc1ccc2c(c1)c1cc(C#[C-])ccc1n2C.[C-]#Cc1ccc2c(c1)c1cc(C#[C-])ccc1n2C.c1ccc([PH+](CCCC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](CCCC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](CCCC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](CCCC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](CCCC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](CCCC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](CCCC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](CCCC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(3,6-bis(ethynyl)-9,9-dimethylfluorene);bis(3,6-bis(ethynyl)-9,9-diphenylfluorene);bis(3,6-bis(ethynyl)-9H-fluorene);bis(3,6-bis(ethynyl)-9-methylcarbazole);octakis(4-diphenylphosphaniumylbutyl(diphenyl)phosphanium);hexadecakis(gold(1+))?
The InChIKey is XZRYSUJPTOVOIT-UHFFFAOYSA-A. The full InChI is InChI=1S/2C29H16.8C28H28P2.2C19H12.2C17H9N.2C17H8.16Au/c2*1-3-21-15-17-27-25(19-21)26-20-22(4-2)16-18-28(26)29(27,23-11-7-5-8-12-23)24-13-9-6-10-14-24;8*1-5-15-25(16-6-1)29(26-17-7-2-8-18-26)23-13-14-24-30(27-19-9-3-10-20-27)28-21-11-4-12-22-28;2*1-5-13-7-9-17-15(11-13)16-12-14(6-2)8-10-18(16)19(17,3)4;2*1-4-12-6-8-16-14(10-12)15-11-13(5-2)7-9-17(15)18(16)3;2*1-3-12-5-7-14-11-15-8-6-13(4-2)10-17(15)16(14)9-12;;;;;;;;;;;;;;;;/h2*5-20H;8*1-12,15-22H,13-14,23-24H2;2*7-12H,3-4H3;2*6-11H,3H3;2*5-10H,11H2;;;;;;;;;;;;;;;;/q2*-2;;;;;;;;;6*-2;16*+1/p+16.
What are the key properties of bis(3,6-bis(ethynyl)-9,9-dimethylfluorene);bis(3,6-bis(ethynyl)-9,9-diphenylfluorene);bis(3,6-bis(ethynyl)-9H-fluorene);bis(3,6-bis(ethynyl)-9-methylcarbazole);octakis(4-diphenylphosphaniumylbutyl(diphenyl)phosphanium);hexadecakis(gold(1+))?
bis(3,6-bis(ethynyl)-9,9-dimethylfluorene);bis(3,6-bis(ethynyl)-9,9-diphenylfluorene);bis(3,6-bis(ethynyl)-9H-fluorene);bis(3,6-bis(ethynyl)-9-methylcarbazole);octakis(4-diphenylphosphaniumylbutyl(diphenyl)phosphanium);hexadecakis(gold(1+)) has a molecular weight of 8667.98 g/mol, XLogP of 76.21, 76 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,6-bis(ethynyl)-9,9-dimethylfluorene);bis(3,6-bis(ethynyl)-9,9-diphenylfluorene);bis(3,6-bis(ethynyl)-9H-fluorene);bis(3,6-bis(ethynyl)-9-methylcarbazole);octakis(4-diphenylphosphaniumylbutyl(diphenyl)phosphanium);hexadecakis(gold(1+)) is sourced from PubChem (CID 164972306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).