cyclohexa-1,5-dien-1-yl-(2-diphenylphosphaniumylphenyl)-phenylphosphanium;bis(1-ethynyl-9,9-dimethylfluorene);bis(gold(1+))

C64H54Au2P2+2 — CID 164790454

IUPACcyclohexa-1,5-dien-1-yl-(2-diphenylphosphaniumylphenyl)-phenylphosphanium;bis(1-ethynyl-9,9-dimethylfluorene);bis(gold(1+))
SMILESC1=CC([PH+](c2ccccc2)c2ccccc2[PH+](c2ccccc2)c2ccccc2)=CCC1.[Au+].[Au+].[C-]#Cc1cccc2c1C(C)(C)c1ccccc1-2.[C-]#Cc1cccc2c1C(C)(C)c1ccccc1-2
InChIInChI=1S/C30H26P2.2C17H13.2Au/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;2*1-4-12-8-7-10-14-13-9-5-6-11-15(13)17(2,3)16(12)14;;/h1-3,5-11,13-24H,4,12H2;2*5-11H,2-3H3;;/q;2*-1;2*+1/p+2
InChIKeyMWLACBXHJRLLKS-UHFFFAOYSA-P
MW1279.02 g/mol
LogP13.43
Rot. Bonds6

About cyclohexa-1,5-dien-1-yl-(2-diphenylphosphaniumylphenyl)-phenylphosphanium;bis(1-ethynyl-9,9-dimethylfluorene);bis(gold(1+))

cyclohexa-1,5-dien-1-yl-(2-diphenylphosphaniumylphenyl)-phenylphosphanium;bis(1-ethynyl-9,9-dimethylfluorene);bis(gold(1+)) (PubChem CID 164790454) has the molecular formula C64H54Au2P2+2 and a molecular weight of 1279.02 g/mol. Its IUPAC name is cyclohexa-1,5-dien-1-yl-(2-diphenylphosphaniumylphenyl)-phenylphosphanium;bis(1-ethynyl-9,9-dimethylfluorene);bis(gold(1+)).

Molecular Properties

Compound Namecyclohexa-1,5-dien-1-yl-(2-diphenylphosphaniumylphenyl)-phenylphosphanium;bis(1-ethynyl-9,9-dimethylfluorene);bis(gold(1+))
PubChem CID164790454
Molecular FormulaC64H54Au2P2+2
Molecular Weight1279.02 g/mol
Exact Mass1278.30
IUPAC Namecyclohexa-1,5-dien-1-yl-(2-diphenylphosphaniumylphenyl)-phenylphosphanium;bis(1-ethynyl-9,9-dimethylfluorene);bis(gold(1+))
SMILESC1=CC([PH+](c2ccccc2)c2ccccc2[PH+](c2ccccc2)c2ccccc2)=CCC1.[Au+].[Au+].[C-]#Cc1cccc2c1C(C)(C)c1ccccc1-2.[C-]#Cc1cccc2c1C(C)(C)c1ccccc1-2
InChIInChI=1S/C30H26P2.2C17H13.2Au/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;2*1-4-12-8-7-10-14-13-9-5-6-11-15(13)17(2,3)16(12)14;;/h1-3,5-11,13-24H,4,12H2;2*5-11H,2-3H3;;/q;2*-1;2*+1/p+2
InChIKeyMWLACBXHJRLLKS-UHFFFAOYSA-P
XLogP13.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001279.02
LogP ≤ 513.43
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

(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;2-ethynyl-9,9-dimethylfluorene;3-ethynyl-9,9-dimethylfluorene;bis(gold(1+))
CID 164790371
silver;cyclohexa-1,5-dien-1-yl-[[cyclohexa-2,4-dien-1-yl(phenyl)phosphaniumyl]methyl]-phenylphosphanium;bis(3-ethynyl-9,9-dimethylfluorene);gold(1+)
CID 164789848
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
(5-diphenylphosphaniumyl-9,9-dimethylxanthen-4-yl)-diphenylphosphanium;palladium
CID 155935452
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
9,9-dimethyl-1-phenylfluorene;methane
CID 142541097
9-cyclohepta-1,3,6-trien-1-yl-9-cyclohexa-1,5-dien-1-ylfluorene;ethane
CID 144721270
N-(2-cyclohexa-1,5-dien-1-yl-4-phenylphenyl)-9,9-dimethylfluoren-2-amine
CID 156510122
2-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-1-amine
CID 175695461
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-10-phenylindeno[1,2-b]fluoren-2-amine
CID 142541184
disilver;diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(3-ethynyl-9,9-dimethylfluorene)
CID 164790094
3-cyclohexa-1,5-dien-1-yl-7,9,9-trimethyl-1-phenylfluorene
CID 178165636

Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,5-dien-1-yl-(2-diphenylphosphaniumylphenyl)-phenylphosphanium;bis(1-ethynyl-9,9-dimethylfluorene);bis(gold(1+))?
The IUPAC name of cyclohexa-1,5-dien-1-yl-(2-diphenylphosphaniumylphenyl)-phenylphosphanium;bis(1-ethynyl-9,9-dimethylfluorene);bis(gold(1+)) (CID 164790454) is cyclohexa-1,5-dien-1-yl-(2-diphenylphosphaniumylphenyl)-phenylphosphanium;bis(1-ethynyl-9,9-dimethylfluorene);bis(gold(1+)).
What is the SMILES notation for cyclohexa-1,5-dien-1-yl-(2-diphenylphosphaniumylphenyl)-phenylphosphanium;bis(1-ethynyl-9,9-dimethylfluorene);bis(gold(1+))?
The canonical SMILES for cyclohexa-1,5-dien-1-yl-(2-diphenylphosphaniumylphenyl)-phenylphosphanium;bis(1-ethynyl-9,9-dimethylfluorene);bis(gold(1+)) is C1=CC([PH+](c2ccccc2)c2ccccc2[PH+](c2ccccc2)c2ccccc2)=CCC1.[Au+].[Au+].[C-]#Cc1cccc2c1C(C)(C)c1ccccc1-2.[C-]#Cc1cccc2c1C(C)(C)c1ccccc1-2.
What is the InChIKey of cyclohexa-1,5-dien-1-yl-(2-diphenylphosphaniumylphenyl)-phenylphosphanium;bis(1-ethynyl-9,9-dimethylfluorene);bis(gold(1+))?
The InChIKey is MWLACBXHJRLLKS-UHFFFAOYSA-P. The full InChI is InChI=1S/C30H26P2.2C17H13.2Au/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;2*1-4-12-8-7-10-14-13-9-5-6-11-15(13)17(2,3)16(12)14;;/h1-3,5-11,13-24H,4,12H2;2*5-11H,2-3H3;;/q;2*-1;2*+1/p+2.
What are the key properties of cyclohexa-1,5-dien-1-yl-(2-diphenylphosphaniumylphenyl)-phenylphosphanium;bis(1-ethynyl-9,9-dimethylfluorene);bis(gold(1+))?
cyclohexa-1,5-dien-1-yl-(2-diphenylphosphaniumylphenyl)-phenylphosphanium;bis(1-ethynyl-9,9-dimethylfluorene);bis(gold(1+)) has a molecular weight of 1279.02 g/mol, XLogP of 13.43, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,5-dien-1-yl-(2-diphenylphosphaniumylphenyl)-phenylphosphanium;bis(1-ethynyl-9,9-dimethylfluorene);bis(gold(1+)) is sourced from PubChem (CID 164790454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).