2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(6-ethynylpentacene);bis(gold(1+))

C74H52Au2P2+2 — CID 162499547

IUPAC2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(6-ethynylpentacene);bis(gold(1+))
SMILES[Au+].[Au+].[C-]#Cc1c2cc3ccccc3cc2cc2cc3ccccc3cc12.[C-]#Cc1c2cc3ccccc3cc2cc2cc3ccccc3cc12.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H24P2.2C24H13.2Au/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;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;;/h1-20H,21-22H2;2*3-15H;;/q;2*-1;2*+1/p+2
InChIKeyIPCPFPPTLNLTIT-UHFFFAOYSA-P
MW1397.11 g/mol
LogP17.19
Rot. Bonds7

About 2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(6-ethynylpentacene);bis(gold(1+))

2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(6-ethynylpentacene);bis(gold(1+)) (PubChem CID 162499547) has the molecular formula C74H52Au2P2+2 and a molecular weight of 1397.11 g/mol. Its IUPAC name is 2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(6-ethynylpentacene);bis(gold(1+)).

Molecular Properties

Compound Name2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(6-ethynylpentacene);bis(gold(1+))
PubChem CID162499547
Molecular FormulaC74H52Au2P2+2
Molecular Weight1397.11 g/mol
Exact Mass1396.29
IUPAC Name2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(6-ethynylpentacene);bis(gold(1+))
SMILES[Au+].[Au+].[C-]#Cc1c2cc3ccccc3cc2cc2cc3ccccc3cc12.[C-]#Cc1c2cc3ccccc3cc2cc2cc3ccccc3cc12.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H24P2.2C24H13.2Au/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;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;;/h1-20H,21-22H2;2*3-15H;;/q;2*-1;2*+1/p+2
InChIKeyIPCPFPPTLNLTIT-UHFFFAOYSA-P
XLogP17.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001397.11
LogP ≤ 517.19
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

disilver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(6-ethynylpentacene)
CID 162499722
2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(gold(1+))
CID 162499688
4-diphenylphosphaniumylbutyl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(gold(1+))
CID 162499607
(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(6-ethynylpentacene);bis(gold(1+))
CID 162499721
diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(gold(1+))
CID 162499405
disilver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(1-ethynyltetracene)
CID 162499534
silver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(9-ethynylphenanthrene);gold(1+)
CID 162499383
silver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(2-ethynylphenanthrene);gold(1+)
CID 162499526
disilver;bis(9-ethynylanthracene);methyl-[2-[methyl(phenyl)phosphaniumyl]ethyl]-phenylphosphanium
CID 162499643
bis(9-ethynylanthracene);bis(gold(1+));methyl-[[methyl(phenyl)phosphaniumyl]methyl]-phenylphosphanium
CID 162499825
hexasilver;2-bis(2-methylphenyl)phosphaniumylethyl-bis(2-methylphenyl)phosphanium;dicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;2-dimethylphosphaniumylethyl(diphenyl)phosphanium;hexakis(9-ethynylanthracene)
CID 163814394
bis(2,8-bis(ethynyl)dibenzofuran);bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);tetrakis(gold(1+))
CID 164790478

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(6-ethynylpentacene);bis(gold(1+))?
The IUPAC name of 2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(6-ethynylpentacene);bis(gold(1+)) (CID 162499547) is 2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(6-ethynylpentacene);bis(gold(1+)).
What is the SMILES notation for 2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(6-ethynylpentacene);bis(gold(1+))?
The canonical SMILES for 2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(6-ethynylpentacene);bis(gold(1+)) is [Au+].[Au+].[C-]#Cc1c2cc3ccccc3cc2cc2cc3ccccc3cc12.[C-]#Cc1c2cc3ccccc3cc2cc2cc3ccccc3cc12.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(6-ethynylpentacene);bis(gold(1+))?
The InChIKey is IPCPFPPTLNLTIT-UHFFFAOYSA-P. The full InChI is InChI=1S/C26H24P2.2C24H13.2Au/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;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;;/h1-20H,21-22H2;2*3-15H;;/q;2*-1;2*+1/p+2.
What are the key properties of 2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(6-ethynylpentacene);bis(gold(1+))?
2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(6-ethynylpentacene);bis(gold(1+)) has a molecular weight of 1397.11 g/mol, XLogP of 17.19, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(6-ethynylpentacene);bis(gold(1+)) is sourced from PubChem (CID 162499547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).