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+))

C399H291Au16NOP16Si2+16 — CID 164997658

IUPAC2,8-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+))
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-]#Cc1ccc2c(c1)-c1cc(C#[C-])ccc1C2(C)C.[C-]#Cc1ccc2c(c1)-c1cc(C#[C-])ccc1[Si]2(c1ccccc1)c1ccccc1.[C-]#Cc1ccc2c(c1)-c1cc(C#[C-])ccc1[Si]2(c1ccccc1)c1ccccc1.[C-]#Cc1ccc2c(c1)c1cc(C#[C-])ccc1n2C.[C-]#Cc1ccc2oc3ccc(C#[C-])cc3c2c1.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/8C30H24P2.2C28H16Si.C19H12.C17H9N.3C17H8.C16H6O.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*1-3-21-15-17-27-25(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;1-5-13-7-9-17-15(11-13)16-12-14(6-2)8-10-18(16)19(17,3)4;1-4-12-6-8-16-14(10-12)15-11-13(5-2)7-9-17(15)18(16)3;3*1-3-12-5-7-14-11-15-8-6-13(4-2)10-17(15)16(14)9-12;1-3-11-5-7-15-13(9-11)14-10-12(4-2)6-8-16(14)17-15;;;;;;;;;;;;;;;;/h8*1-24H;2*5-20H;7-12H,3-4H3;6-11H,3H3;3*5-10H,11H2;5-10H;;;;;;;;;;;;;;;;/q;;;;;;;;8*-2;16*+1/p+16
InChIKeyJRSGEGYQKJDEPI-UHFFFAOYSA-A
MW8818.95 g/mol
LogP63.08
Rot. Bonds52

About 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+))

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+)) (PubChem CID 164997658) has the molecular formula C399H291Au16NOP16Si2+16 and a molecular weight of 8818.95 g/mol. Its IUPAC name is 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+)).

Molecular Properties

Compound Name2,8-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+))
PubChem CID164997658
Molecular FormulaC399H291Au16NOP16Si2+16
Molecular Weight8818.95 g/mol
Exact Mass8814.27
IUPAC Name2,8-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+))
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-]#Cc1ccc2c(c1)-c1cc(C#[C-])ccc1C2(C)C.[C-]#Cc1ccc2c(c1)-c1cc(C#[C-])ccc1[Si]2(c1ccccc1)c1ccccc1.[C-]#Cc1ccc2c(c1)-c1cc(C#[C-])ccc1[Si]2(c1ccccc1)c1ccccc1.[C-]#Cc1ccc2c(c1)c1cc(C#[C-])ccc1n2C.[C-]#Cc1ccc2oc3ccc(C#[C-])cc3c2c1.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/8C30H24P2.2C28H16Si.C19H12.C17H9N.3C17H8.C16H6O.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*1-3-21-15-17-27-25(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;1-5-13-7-9-17-15(11-13)16-12-14(6-2)8-10-18(16)19(17,3)4;1-4-12-6-8-16-14(10-12)15-11-13(5-2)7-9-17(15)18(16)3;3*1-3-12-5-7-14-11-15-8-6-13(4-2)10-17(15)16(14)9-12;1-3-11-5-7-15-13(9-11)14-10-12(4-2)6-8-16(14)17-15;;;;;;;;;;;;;;;;/h8*1-24H;2*5-20H;7-12H,3-4H3;6-11H,3H3;3*5-10H,11H2;5-10H;;;;;;;;;;;;;;;;/q;;;;;;;;8*-2;16*+1/p+16
InChIKeyJRSGEGYQKJDEPI-UHFFFAOYSA-A
XLogP63.08
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds52
Heavy Atoms435
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5008818.95
LogP ≤ 563.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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+)) with MolForge

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Related Compounds

3,6-bis(ethynyl)-9H-fluorene;3,6-bis(ethynyl)-9-methylcarbazole;bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+))
CID 164790417
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
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
(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;2-ethynyl-9,9-dimethylfluorene;3-ethynyl-9,9-dimethylfluorene;bis(gold(1+))
CID 164790371
(2-diphenylphosphaniumyldibenzofuran-3-yl)-diphenylphosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+))
CID 164790051
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
(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(2-ethynyltriphenylene);bis(gold(1+))
CID 162499829
bis(2,6-bis(ethynyl)-9-phenylcarbazole);bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+))
CID 164790070
bis(2,8-bis(ethynyl)dibenzofuran);bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);tetrakis(gold(1+))
CID 164790478
disilver;diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(3-ethynyl-9,9-dimethylfluorene)
CID 164790094
6-(8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazol-5-yl)-9,9-dimethylfluorene-3-carbonitrile
CID 140947513

Frequently Asked Questions

What is the IUPAC name of 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+))?
The IUPAC name of 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) is 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+)).
What is the SMILES notation for 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+))?
The canonical SMILES for 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+)) 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-]#Cc1ccc2c(c1)-c1cc(C#[C-])ccc1C2(C)C.[C-]#Cc1ccc2c(c1)-c1cc(C#[C-])ccc1[Si]2(c1ccccc1)c1ccccc1.[C-]#Cc1ccc2c(c1)-c1cc(C#[C-])ccc1[Si]2(c1ccccc1)c1ccccc1.[C-]#Cc1ccc2c(c1)c1cc(C#[C-])ccc1n2C.[C-]#Cc1ccc2oc3ccc(C#[C-])cc3c2c1.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 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+))?
The InChIKey is JRSGEGYQKJDEPI-UHFFFAOYSA-A. The full InChI is InChI=1S/8C30H24P2.2C28H16Si.C19H12.C17H9N.3C17H8.C16H6O.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*1-3-21-15-17-27-25(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;1-5-13-7-9-17-15(11-13)16-12-14(6-2)8-10-18(16)19(17,3)4;1-4-12-6-8-16-14(10-12)15-11-13(5-2)7-9-17(15)18(16)3;3*1-3-12-5-7-14-11-15-8-6-13(4-2)10-17(15)16(14)9-12;1-3-11-5-7-15-13(9-11)14-10-12(4-2)6-8-16(14)17-15;;;;;;;;;;;;;;;;/h8*1-24H;2*5-20H;7-12H,3-4H3;6-11H,3H3;3*5-10H,11H2;5-10H;;;;;;;;;;;;;;;;/q;;;;;;;;8*-2;16*+1/p+16.
What are the key properties of 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+))?
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+)) has a molecular weight of 8818.95 g/mol, XLogP of 63.08, 52 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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+)) is sourced from PubChem (CID 164997658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).