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+))

C404H298Au16N2P16+16 — CID 165073479

IUPACbis(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+))
SMILES[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[C-]#Cc1ccc2c(c1)C(C)(C)c1cc(C#[C-])ccc1-2.[C-]#Cc1ccc2c(c1)C(C)(C)c1cc(C#[C-])ccc1-2.[C-]#Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(C#[C-])ccc1-2.[C-]#Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(C#[C-])ccc1-2.[C-]#Cc1ccc2c(c1)Cc1cc(C#[C-])ccc1-2.[C-]#Cc1ccc2c(c1)Cc1cc(C#[C-])ccc1-2.[C-]#Cc1ccc2c3ccc(C#[C-])cc3n(C)c2c1.[C-]#Cc1ccc2c3ccc(C#[C-])cc3n(C)c2c1.c1ccc([PH+](c2ccccc2)c2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/8C30H24P2.2C29H16.2C19H12.2C17H9N.2C17H8.16Au/c8*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*1-3-21-15-17-25-26-18-16-22(4-2)20-28(26)29(27(25)19-21,23-11-7-5-8-12-23)24-13-9-6-10-14-24;2*1-5-13-7-9-15-16-10-8-14(6-2)12-18(16)19(3,4)17(15)11-13;2*1-4-12-6-8-14-15-9-7-13(5-2)11-17(15)18(3)16(14)10-12;2*1-3-12-5-7-16-14(9-12)11-15-10-13(4-2)6-8-17(15)16;;;;;;;;;;;;;;;;/h8*1-24H;2*5-20H;2*7-12H,3-4H3;2*6-11H,3H3;2*5-10H,11H2;;;;;;;;;;;;;;;;/q;;;;;;;;8*-2;16*+1/p+16
InChIKeyILCAKBSROZAXCL-UHFFFAOYSA-A
MW8827.90 g/mol
LogP69.57
Rot. Bonds52

About 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+))

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+)) (PubChem CID 165073479) has the molecular formula C404H298Au16N2P16+16 and a molecular weight of 8827.90 g/mol. Its IUPAC name is 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+)).

Molecular Properties

Compound Namebis(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+))
PubChem CID165073479
Molecular FormulaC404H298Au16N2P16+16
Molecular Weight8827.90 g/mol
Exact Mass8823.37
IUPAC Namebis(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+))
SMILES[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[C-]#Cc1ccc2c(c1)C(C)(C)c1cc(C#[C-])ccc1-2.[C-]#Cc1ccc2c(c1)C(C)(C)c1cc(C#[C-])ccc1-2.[C-]#Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(C#[C-])ccc1-2.[C-]#Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(C#[C-])ccc1-2.[C-]#Cc1ccc2c(c1)Cc1cc(C#[C-])ccc1-2.[C-]#Cc1ccc2c(c1)Cc1cc(C#[C-])ccc1-2.[C-]#Cc1ccc2c3ccc(C#[C-])cc3n(C)c2c1.[C-]#Cc1ccc2c3ccc(C#[C-])cc3n(C)c2c1.c1ccc([PH+](c2ccccc2)c2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/8C30H24P2.2C29H16.2C19H12.2C17H9N.2C17H8.16Au/c8*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*1-3-21-15-17-25-26-18-16-22(4-2)20-28(26)29(27(25)19-21,23-11-7-5-8-12-23)24-13-9-6-10-14-24;2*1-5-13-7-9-15-16-10-8-14(6-2)12-18(16)19(3,4)17(15)11-13;2*1-4-12-6-8-14-15-9-7-13(5-2)11-17(15)18(3)16(14)10-12;2*1-3-12-5-7-16-14(9-12)11-15-10-13(4-2)6-8-17(15)16;;;;;;;;;;;;;;;;/h8*1-24H;2*5-20H;2*7-12H,3-4H3;2*6-11H,3H3;2*5-10H,11H2;;;;;;;;;;;;;;;;/q;;;;;;;;8*-2;16*+1/p+16
InChIKeyILCAKBSROZAXCL-UHFFFAOYSA-A
XLogP69.57
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds52
Heavy Atoms438
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5008827.90
LogP ≤ 569.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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+)) 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
bis(2,7-bis(ethynyl)-9-methylcarbazole);bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+))
CID 164790459
3,6-bis(ethynyl)-9H-fluorene;3,6-bis(ethynyl)-9-methylcarbazole;bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+))
CID 164790417
(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;2-ethynyl-9,9-dimethylfluorene;3-ethynyl-9,9-dimethylfluorene;bis(gold(1+))
CID 164790371
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(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
2,6-bis(ethynyl)-9,9-dimethylfluorene;2,6-bis(ethynyl)-9H-fluorene;bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);tetrakis(gold(1+))
CID 164789769
2-diphenylphosphaniumylethyl(diphenyl)phosphanium;2-ethynyl-9H-fluorene;3-ethynyl-9-methylcarbazole;bis(gold(1+))
CID 164789760
bis(2,6-bis(ethynyl)-9-phenylcarbazole);bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+))
CID 164790070
disilver;diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynyl-9,9-diphenylfluorene)
CID 164789687
bis(3,7-bis(ethynyl)dibenzothiophene);bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+))
CID 164789740
disilver;diphenylphosphaniumylmethyl(diphenyl)phosphanium;2-ethynyl-9,9-diphenylfluorene;3-ethynyl-9,9-diphenylfluorene
CID 164790310

Frequently Asked Questions

What is the IUPAC name of 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+))?
The IUPAC name of 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) is 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+)).
What is the SMILES notation for 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+))?
The canonical SMILES for 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+)) is [Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[C-]#Cc1ccc2c(c1)C(C)(C)c1cc(C#[C-])ccc1-2.[C-]#Cc1ccc2c(c1)C(C)(C)c1cc(C#[C-])ccc1-2.[C-]#Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(C#[C-])ccc1-2.[C-]#Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(C#[C-])ccc1-2.[C-]#Cc1ccc2c(c1)Cc1cc(C#[C-])ccc1-2.[C-]#Cc1ccc2c(c1)Cc1cc(C#[C-])ccc1-2.[C-]#Cc1ccc2c3ccc(C#[C-])cc3n(C)c2c1.[C-]#Cc1ccc2c3ccc(C#[C-])cc3n(C)c2c1.c1ccc([PH+](c2ccccc2)c2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 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+))?
The InChIKey is ILCAKBSROZAXCL-UHFFFAOYSA-A. The full InChI is InChI=1S/8C30H24P2.2C29H16.2C19H12.2C17H9N.2C17H8.16Au/c8*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*1-3-21-15-17-25-26-18-16-22(4-2)20-28(26)29(27(25)19-21,23-11-7-5-8-12-23)24-13-9-6-10-14-24;2*1-5-13-7-9-15-16-10-8-14(6-2)12-18(16)19(3,4)17(15)11-13;2*1-4-12-6-8-14-15-9-7-13(5-2)11-17(15)18(3)16(14)10-12;2*1-3-12-5-7-16-14(9-12)11-15-10-13(4-2)6-8-17(15)16;;;;;;;;;;;;;;;;/h8*1-24H;2*5-20H;2*7-12H,3-4H3;2*6-11H,3H3;2*5-10H,11H2;;;;;;;;;;;;;;;;/q;;;;;;;;8*-2;16*+1/p+16.
What are the key properties of 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+))?
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+)) has a molecular weight of 8827.90 g/mol, XLogP of 69.57, 52 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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+)) is sourced from PubChem (CID 165073479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).