(2-diphenylphosphaniumyldibenzofuran-3-yl)-diphenylphosphanium;bis(2-ethynyldibenzofuran);bis(gold(1+))

C64H42Au2O3P2+2 — CID 164790276

IUPAC(2-diphenylphosphaniumyldibenzofuran-3-yl)-diphenylphosphanium;bis(2-ethynyldibenzofuran);bis(gold(1+))
SMILES[Au+].[Au+].[C-]#Cc1ccc2oc3ccccc3c2c1.[C-]#Cc1ccc2oc3ccccc3c2c1.c1ccc([PH+](c2ccccc2)c2cc3oc4ccccc4c3cc2[PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C36H26OP2.2C14H7O.2Au/c1-5-15-27(16-6-1)38(28-17-7-2-8-18-28)35-25-32-31-23-13-14-24-33(31)37-34(32)26-36(35)39(29-19-9-3-10-20-29)30-21-11-4-12-22-30;2*1-2-10-7-8-14-12(9-10)11-5-3-4-6-13(11)15-14;;/h1-26H;2*3-9H;;/q;2*-1;2*+1/p+2
InChIKeyJFXICWZRNRSTRT-UHFFFAOYSA-P
MW1314.92 g/mol
LogP13.61
Rot. Bonds6

About (2-diphenylphosphaniumyldibenzofuran-3-yl)-diphenylphosphanium;bis(2-ethynyldibenzofuran);bis(gold(1+))

(2-diphenylphosphaniumyldibenzofuran-3-yl)-diphenylphosphanium;bis(2-ethynyldibenzofuran);bis(gold(1+)) (PubChem CID 164790276) has the molecular formula C64H42Au2O3P2+2 and a molecular weight of 1314.92 g/mol. Its IUPAC name is (2-diphenylphosphaniumyldibenzofuran-3-yl)-diphenylphosphanium;bis(2-ethynyldibenzofuran);bis(gold(1+)).

Molecular Properties

Compound Name(2-diphenylphosphaniumyldibenzofuran-3-yl)-diphenylphosphanium;bis(2-ethynyldibenzofuran);bis(gold(1+))
PubChem CID164790276
Molecular FormulaC64H42Au2O3P2+2
Molecular Weight1314.92 g/mol
Exact Mass1314.19
IUPAC Name(2-diphenylphosphaniumyldibenzofuran-3-yl)-diphenylphosphanium;bis(2-ethynyldibenzofuran);bis(gold(1+))
SMILES[Au+].[Au+].[C-]#Cc1ccc2oc3ccccc3c2c1.[C-]#Cc1ccc2oc3ccccc3c2c1.c1ccc([PH+](c2ccccc2)c2cc3oc4ccccc4c3cc2[PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C36H26OP2.2C14H7O.2Au/c1-5-15-27(16-6-1)38(28-17-7-2-8-18-28)35-25-32-31-23-13-14-24-33(31)37-34(32)26-36(35)39(29-19-9-3-10-20-29)30-21-11-4-12-22-30;2*1-2-10-7-8-14-12(9-10)11-5-3-4-6-13(11)15-14;;/h1-26H;2*3-9H;;/q;2*-1;2*+1/p+2
InChIKeyJFXICWZRNRSTRT-UHFFFAOYSA-P
XLogP13.61
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001314.92
LogP ≤ 513.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-diphenylphosphaniumyldibenzofuran-3-yl)-diphenylphosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+))
CID 164790051
(2-diphenylphosphaniumyldibenzofuran-3-yl)-diphenylphosphanium;bis(1-ethynyldibenzofuran);bis(gold(1+))
CID 164790350
bis(2,8-bis(ethynyl)dibenzofuran);bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);tetrakis(gold(1+))
CID 164790478
(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(2-ethynyltriphenylene);bis(gold(1+))
CID 162499829
(2-diphenylphosphaniumylphenyl)-[(2E,4Z)-hexa-2,4-dien-3-yl]-phenylphosphanium;bis(3-ethynyldibenzofuran);bis(gold(1+))
CID 164790096
bis(3,7-bis(ethynyl)dibenzofuran);bis(4-diphenylphosphaniumylbutyl(diphenyl)phosphanium);tetrakis(gold(1+))
CID 164790205
bis(3,7-bis(ethynyl)dibenzofuran);4-diphenylphosphaniumylbutyl(diphenyl)phosphanium;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;tetrakis(gold(1+))
CID 164790188
disilver;(2-diphenylphosphaniumyl-4,5-dimethylphenyl)-diphenylphosphanium;bis(3-ethynylphenanthrene)
CID 162499781
bis(3,7-bis(ethynyl)dibenzothiophene);bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+))
CID 164789740
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
2,8-bis(2-phenylethynyl)dibenzofuran
CID 5038015
2-dimethylphosphaniumylethyl(dimethyl)phosphanium;dimethylphosphaniumylmethyl(dimethyl)phosphanium;diphenylphosphaniumylmethyl-methyl-phenylphosphanium;bis(3-ethynyldibenzofuran);tris(2-ethynyl-9-methylcarbazole);tris(3-ethynyl-9-methylcarbazole);octakis(gold(1+));methyl-[[methyl(phenyl)phosphaniumyl]methyl]-phenylphosphanium
CID 165079472

Frequently Asked Questions

What is the IUPAC name of (2-diphenylphosphaniumyldibenzofuran-3-yl)-diphenylphosphanium;bis(2-ethynyldibenzofuran);bis(gold(1+))?
The IUPAC name of (2-diphenylphosphaniumyldibenzofuran-3-yl)-diphenylphosphanium;bis(2-ethynyldibenzofuran);bis(gold(1+)) (CID 164790276) is (2-diphenylphosphaniumyldibenzofuran-3-yl)-diphenylphosphanium;bis(2-ethynyldibenzofuran);bis(gold(1+)).
What is the SMILES notation for (2-diphenylphosphaniumyldibenzofuran-3-yl)-diphenylphosphanium;bis(2-ethynyldibenzofuran);bis(gold(1+))?
The canonical SMILES for (2-diphenylphosphaniumyldibenzofuran-3-yl)-diphenylphosphanium;bis(2-ethynyldibenzofuran);bis(gold(1+)) is [Au+].[Au+].[C-]#Cc1ccc2oc3ccccc3c2c1.[C-]#Cc1ccc2oc3ccccc3c2c1.c1ccc([PH+](c2ccccc2)c2cc3oc4ccccc4c3cc2[PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (2-diphenylphosphaniumyldibenzofuran-3-yl)-diphenylphosphanium;bis(2-ethynyldibenzofuran);bis(gold(1+))?
The InChIKey is JFXICWZRNRSTRT-UHFFFAOYSA-P. The full InChI is InChI=1S/C36H26OP2.2C14H7O.2Au/c1-5-15-27(16-6-1)38(28-17-7-2-8-18-28)35-25-32-31-23-13-14-24-33(31)37-34(32)26-36(35)39(29-19-9-3-10-20-29)30-21-11-4-12-22-30;2*1-2-10-7-8-14-12(9-10)11-5-3-4-6-13(11)15-14;;/h1-26H;2*3-9H;;/q;2*-1;2*+1/p+2.
What are the key properties of (2-diphenylphosphaniumyldibenzofuran-3-yl)-diphenylphosphanium;bis(2-ethynyldibenzofuran);bis(gold(1+))?
(2-diphenylphosphaniumyldibenzofuran-3-yl)-diphenylphosphanium;bis(2-ethynyldibenzofuran);bis(gold(1+)) has a molecular weight of 1314.92 g/mol, XLogP of 13.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-diphenylphosphaniumyldibenzofuran-3-yl)-diphenylphosphanium;bis(2-ethynyldibenzofuran);bis(gold(1+)) is sourced from PubChem (CID 164790276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).