(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(6-ethynylpentacene);bis(gold(1+))

C78H52Au2P2+2 — CID 162499721

IUPAC(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(6-ethynylpentacene);bis(gold(1+))
SMILES[Au+].[Au+].[C-]#Cc1c2cc3ccccc3cc2cc2cc3ccccc3cc12.[C-]#Cc1c2cc3ccccc3cc2cc2cc3ccccc3cc12.c1ccc([PH+](c2ccccc2)c2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H24P2.2C24H13.2Au/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*1-2-22-23-14-18-9-5-3-7-16(18)11-20(23)13-21-12-17-8-4-6-10-19(17)15-24(21)22;;/h1-24H;2*3-15H;;/q;2*-1;2*+1/p+2
InChIKeyHXPBBVPPJYGLCV-UHFFFAOYSA-P
MW1445.16 g/mol
LogP17.14
Rot. Bonds6

About (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(6-ethynylpentacene);bis(gold(1+))

(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(6-ethynylpentacene);bis(gold(1+)) (PubChem CID 162499721) has the molecular formula C78H52Au2P2+2 and a molecular weight of 1445.16 g/mol. Its IUPAC name is (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(6-ethynylpentacene);bis(gold(1+)).

Molecular Properties

Compound Name(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(6-ethynylpentacene);bis(gold(1+))
PubChem CID162499721
Molecular FormulaC78H52Au2P2+2
Molecular Weight1445.16 g/mol
Exact Mass1444.29
IUPAC Name(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(6-ethynylpentacene);bis(gold(1+))
SMILES[Au+].[Au+].[C-]#Cc1c2cc3ccccc3cc2cc2cc3ccccc3cc12.[C-]#Cc1c2cc3ccccc3cc2cc2cc3ccccc3cc12.c1ccc([PH+](c2ccccc2)c2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H24P2.2C24H13.2Au/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*1-2-22-23-14-18-9-5-3-7-16(18)11-20(23)13-21-12-17-8-4-6-10-19(17)15-24(21)22;;/h1-24H;2*3-15H;;/q;2*-1;2*+1/p+2
InChIKeyHXPBBVPPJYGLCV-UHFFFAOYSA-P
XLogP17.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001445.16
LogP ≤ 517.14
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_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(6-ethynylpentacene);bis(gold(1+))
CID 162499547
(2-dimethylphosphaniumylphenyl)-dimethylphosphanium;(2-dimethylphosphaniumylphenyl)-diphenylphosphanium;hexakis(9-ethynylanthracene);hexakis(gold(1+));methyl-[2-[methyl(phenyl)phosphaniumyl]phenyl]-phenylphosphanium
CID 163755412
disilver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(6-ethynylpentacene)
CID 162499722
(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(2-ethynylphenanthrene);bis(gold(1+))
CID 162499402
(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(2-ethynyltriphenylene);bis(gold(1+))
CID 162499829
2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(gold(1+))
CID 162499688
diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(gold(1+))
CID 162499405
bis(3,7-bis(ethynyl)dibenzothiophene);bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+))
CID 164789740
bis(9-ethynylanthracene);bis(gold(1+));methyl-[[methyl(phenyl)phosphaniumyl]methyl]-phenylphosphanium
CID 162499825
4-diphenylphosphaniumylbutyl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(gold(1+))
CID 162499607
hexasilver;tris((2-diphenylphosphaniumyl-4,5-dimethylphenyl)-diphenylphosphanium);bis(1-ethynylanthracene);bis(9-ethynylanthracene);bis(4-ethynylphenanthrene)
CID 163963600
hexasilver;tris((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);9-ethynylanthracene;6-ethynylchrysene;bis(9-ethynyl-10-methylanthracene);9-ethynylphenanthrene;9-ethynyl-10-phenylanthracene
CID 163429719

Frequently Asked Questions

What is the IUPAC name of (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(6-ethynylpentacene);bis(gold(1+))?
The IUPAC name of (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(6-ethynylpentacene);bis(gold(1+)) (CID 162499721) is (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(6-ethynylpentacene);bis(gold(1+)).
What is the SMILES notation for (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(6-ethynylpentacene);bis(gold(1+))?
The canonical SMILES for (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(6-ethynylpentacene);bis(gold(1+)) is [Au+].[Au+].[C-]#Cc1c2cc3ccccc3cc2cc2cc3ccccc3cc12.[C-]#Cc1c2cc3ccccc3cc2cc2cc3ccccc3cc12.c1ccc([PH+](c2ccccc2)c2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(6-ethynylpentacene);bis(gold(1+))?
The InChIKey is HXPBBVPPJYGLCV-UHFFFAOYSA-P. The full InChI is InChI=1S/C30H24P2.2C24H13.2Au/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*1-2-22-23-14-18-9-5-3-7-16(18)11-20(23)13-21-12-17-8-4-6-10-19(17)15-24(21)22;;/h1-24H;2*3-15H;;/q;2*-1;2*+1/p+2.
What are the key properties of (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(6-ethynylpentacene);bis(gold(1+))?
(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(6-ethynylpentacene);bis(gold(1+)) has a molecular weight of 1445.16 g/mol, XLogP of 17.14, 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(6-ethynylpentacene);bis(gold(1+)) is sourced from PubChem (CID 162499721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).