(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(2-ethynylphenanthrene);bis(gold(1+))

C62H44Au2P2+2 — CID 162499402

IUPAC(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(2-ethynylphenanthrene);bis(gold(1+))
SMILES[Au+].[Au+].[C-]#Cc1ccc2c(ccc3ccccc32)c1.[C-]#Cc1ccc2c(ccc3ccccc32)c1.c1ccc([PH+](c2ccccc2)c2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H24P2.2C16H9.2Au/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*1-2-12-7-10-16-14(11-12)9-8-13-5-3-4-6-15(13)16;;/h1-24H;2*3-11H;;/q;2*-1;2*+1/p+2
InChIKeyUDNWUYUHMFCWEK-UHFFFAOYSA-P
MW1244.92 g/mol
LogP12.52
Rot. Bonds6

About (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(2-ethynylphenanthrene);bis(gold(1+))

(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(2-ethynylphenanthrene);bis(gold(1+)) (PubChem CID 162499402) has the molecular formula C62H44Au2P2+2 and a molecular weight of 1244.92 g/mol. Its IUPAC name is (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(2-ethynylphenanthrene);bis(gold(1+)).

Molecular Properties

Compound Name(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(2-ethynylphenanthrene);bis(gold(1+))
PubChem CID162499402
Molecular FormulaC62H44Au2P2+2
Molecular Weight1244.92 g/mol
Exact Mass1244.22
IUPAC Name(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(2-ethynylphenanthrene);bis(gold(1+))
SMILES[Au+].[Au+].[C-]#Cc1ccc2c(ccc3ccccc32)c1.[C-]#Cc1ccc2c(ccc3ccccc32)c1.c1ccc([PH+](c2ccccc2)c2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H24P2.2C16H9.2Au/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*1-2-12-7-10-16-14(11-12)9-8-13-5-3-4-6-15(13)16;;/h1-24H;2*3-11H;;/q;2*-1;2*+1/p+2
InChIKeyUDNWUYUHMFCWEK-UHFFFAOYSA-P
XLogP12.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001244.92
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': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(2-ethynyltriphenylene);bis(gold(1+))
CID 162499829
silver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(2-ethynylphenanthrene);gold(1+)
CID 162499526
(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;6-ethynylchrysene;9-ethynylphenanthrene;bis(gold(1+))
CID 162499487
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
bis(2,7-bis(ethynyl)-9-methylcarbazole);bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+))
CID 164790459
diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynylnaphthalene);bis(gold(1+))
CID 162499562
tris(2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium);bis(1-ethynylphenanthrene);bis(2-ethynylphenanthrene);bis(9-ethynylphenanthrene);hexakis(gold(1+))
CID 163943977
(2-dimethylphosphaniumylphenyl)-dimethylphosphanium;(2-dimethylphosphaniumylphenyl)-diphenylphosphanium;hexakis(9-ethynylanthracene);hexakis(gold(1+));methyl-[2-[methyl(phenyl)phosphaniumyl]phenyl]-phenylphosphanium
CID 163755412
(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(6-ethynylpentacene);bis(gold(1+))
CID 162499721
bis(2,6-bis(ethynyl)-9-phenylcarbazole);bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+))
CID 164790070
diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynyltriphenylene);bis(gold(1+))
CID 162499734

Frequently Asked Questions

What is the IUPAC name of (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(2-ethynylphenanthrene);bis(gold(1+))?
The IUPAC name of (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(2-ethynylphenanthrene);bis(gold(1+)) (CID 162499402) is (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(2-ethynylphenanthrene);bis(gold(1+)).
What is the SMILES notation for (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(2-ethynylphenanthrene);bis(gold(1+))?
The canonical SMILES for (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(2-ethynylphenanthrene);bis(gold(1+)) is [Au+].[Au+].[C-]#Cc1ccc2c(ccc3ccccc32)c1.[C-]#Cc1ccc2c(ccc3ccccc32)c1.c1ccc([PH+](c2ccccc2)c2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(2-ethynylphenanthrene);bis(gold(1+))?
The InChIKey is UDNWUYUHMFCWEK-UHFFFAOYSA-P. The full InChI is InChI=1S/C30H24P2.2C16H9.2Au/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*1-2-12-7-10-16-14(11-12)9-8-13-5-3-4-6-15(13)16;;/h1-24H;2*3-11H;;/q;2*-1;2*+1/p+2.
What are the key properties of (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(2-ethynylphenanthrene);bis(gold(1+))?
(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(2-ethynylphenanthrene);bis(gold(1+)) has a molecular weight of 1244.92 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;bis(2-ethynylphenanthrene);bis(gold(1+)) is sourced from PubChem (CID 162499402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).