(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;2-ethynyl-9,9-dimethylfluorene;3-ethynyl-9,9-dimethylfluorene;bis(gold(1+))

C64H52Au2P2+2 — CID 164790371

IUPAC(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;2-ethynyl-9,9-dimethylfluorene;3-ethynyl-9,9-dimethylfluorene;bis(gold(1+))
SMILES[Au+].[Au+].[C-]#Cc1ccc2c(c1)-c1ccccc1C2(C)C.[C-]#Cc1ccc2c(c1)C(C)(C)c1ccccc1-2.c1ccc([PH+](c2ccccc2)c2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H24P2.2C17H13.2Au/c1-5-15-25(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;1-4-12-9-10-16-14(11-12)13-7-5-6-8-15(13)17(16,2)3;1-4-12-9-10-14-13-7-5-6-8-15(13)17(2,3)16(14)11-12;;/h1-24H;2*5-11H,2-3H3;;/q;2*-1;2*+1/p+2
InChIKeyFFAIQTDPSPGQKC-UHFFFAOYSA-P
MW1277.00 g/mol
LogP12.52
Rot. Bonds6

About (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;2-ethynyl-9,9-dimethylfluorene;3-ethynyl-9,9-dimethylfluorene;bis(gold(1+))

(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;2-ethynyl-9,9-dimethylfluorene;3-ethynyl-9,9-dimethylfluorene;bis(gold(1+)) (PubChem CID 164790371) has the molecular formula C64H52Au2P2+2 and a molecular weight of 1277.00 g/mol. Its IUPAC name is (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;2-ethynyl-9,9-dimethylfluorene;3-ethynyl-9,9-dimethylfluorene;bis(gold(1+)).

Molecular Properties

Compound Name(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;2-ethynyl-9,9-dimethylfluorene;3-ethynyl-9,9-dimethylfluorene;bis(gold(1+))
PubChem CID164790371
Molecular FormulaC64H52Au2P2+2
Molecular Weight1277.00 g/mol
Exact Mass1276.29
IUPAC Name(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;2-ethynyl-9,9-dimethylfluorene;3-ethynyl-9,9-dimethylfluorene;bis(gold(1+))
SMILES[Au+].[Au+].[C-]#Cc1ccc2c(c1)-c1ccccc1C2(C)C.[C-]#Cc1ccc2c(c1)C(C)(C)c1ccccc1-2.c1ccc([PH+](c2ccccc2)c2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H24P2.2C17H13.2Au/c1-5-15-25(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;1-4-12-9-10-16-14(11-12)13-7-5-6-8-15(13)17(16,2)3;1-4-12-9-10-14-13-7-5-6-8-15(13)17(2,3)16(14)11-12;;/h1-24H;2*5-11H,2-3H3;;/q;2*-1;2*+1/p+2
InChIKeyFFAIQTDPSPGQKC-UHFFFAOYSA-P
XLogP12.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001277.00
LogP ≤ 512.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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'}

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Related Compounds

disilver;diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(3-ethynyl-9,9-dimethylfluorene)
CID 164790094
disilver;bis(diphenylphosphaniumylmethyl(diphenyl)phosphanium);2-ethynyl-9,9-dimethylfluorene;3-ethynyl-9,9-dimethylfluorene;bis(4-ethynyl-9,9-dimethylfluorene);bis(gold(1+))
CID 164978762
2,6-bis(ethynyl)-9,9-dimethylfluorene;2,6-bis(ethynyl)-9H-fluorene;bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);tetrakis(gold(1+))
CID 164789769
silver;diphenylphosphaniumylmethyl-[(1E,3Z)-hexa-1,3,5-trienyl]-phenylphosphanium;2-ethynyl-9,9-dimethylfluorene;3-ethynyl-9,9-dimethylfluorene;gold(1+)
CID 164789578
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;bis(2-ethynyltriphenylene);bis(gold(1+))
CID 162499829
disilver;diphenylphosphaniumylmethyl(diphenyl)phosphanium;2-ethynyl-9,9-diphenylfluorene;3-ethynyl-9,9-diphenylfluorene
CID 164790310
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-methylcarbazole);bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+))
CID 164790459
bis(3,7-bis(ethynyl)dibenzothiophene);bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+))
CID 164789740
9,9-diethyl-7-ethynyl-N,N-diphenylfluoren-2-amine;gold(1+);triphenylphosphanium
CID 168830141

Frequently Asked Questions

What is the IUPAC name of (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;2-ethynyl-9,9-dimethylfluorene;3-ethynyl-9,9-dimethylfluorene;bis(gold(1+))?
The IUPAC name of (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;2-ethynyl-9,9-dimethylfluorene;3-ethynyl-9,9-dimethylfluorene;bis(gold(1+)) (CID 164790371) is (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;2-ethynyl-9,9-dimethylfluorene;3-ethynyl-9,9-dimethylfluorene;bis(gold(1+)).
What is the SMILES notation for (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;2-ethynyl-9,9-dimethylfluorene;3-ethynyl-9,9-dimethylfluorene;bis(gold(1+))?
The canonical SMILES for (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;2-ethynyl-9,9-dimethylfluorene;3-ethynyl-9,9-dimethylfluorene;bis(gold(1+)) is [Au+].[Au+].[C-]#Cc1ccc2c(c1)-c1ccccc1C2(C)C.[C-]#Cc1ccc2c(c1)C(C)(C)c1ccccc1-2.c1ccc([PH+](c2ccccc2)c2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;2-ethynyl-9,9-dimethylfluorene;3-ethynyl-9,9-dimethylfluorene;bis(gold(1+))?
The InChIKey is FFAIQTDPSPGQKC-UHFFFAOYSA-P. The full InChI is InChI=1S/C30H24P2.2C17H13.2Au/c1-5-15-25(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;1-4-12-9-10-16-14(11-12)13-7-5-6-8-15(13)17(16,2)3;1-4-12-9-10-14-13-7-5-6-8-15(13)17(2,3)16(14)11-12;;/h1-24H;2*5-11H,2-3H3;;/q;2*-1;2*+1/p+2.
What are the key properties of (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;2-ethynyl-9,9-dimethylfluorene;3-ethynyl-9,9-dimethylfluorene;bis(gold(1+))?
(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;2-ethynyl-9,9-dimethylfluorene;3-ethynyl-9,9-dimethylfluorene;bis(gold(1+)) has a molecular weight of 1277.00 g/mol, XLogP of 12.52, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;2-ethynyl-9,9-dimethylfluorene;3-ethynyl-9,9-dimethylfluorene;bis(gold(1+)) is sourced from PubChem (CID 164790371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).