diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynylnaphthalene);bis(gold(1+))

C49H38Au2P2+2 — CID 162499562

IUPACdiphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynylnaphthalene);bis(gold(1+))
SMILES[Au+].[Au+].[C-]#Cc1ccc2ccccc2c1.[C-]#Cc1ccc2ccccc2c1.c1ccc([PH+](C[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H22P2.2C12H7.2Au/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25;2*1-2-10-7-8-11-5-3-4-6-12(11)9-10;;/h1-20H,21H2;2*3-9H;;/q;2*-1;2*+1/p+2
InChIKeyJAANHOUNHULDLJ-UHFFFAOYSA-P
MW1082.72 g/mol
LogP10.22
Rot. Bonds6

About diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynylnaphthalene);bis(gold(1+))

diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynylnaphthalene);bis(gold(1+)) (PubChem CID 162499562) has the molecular formula C49H38Au2P2+2 and a molecular weight of 1082.72 g/mol. Its IUPAC name is diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynylnaphthalene);bis(gold(1+)).

Molecular Properties

Compound Namediphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynylnaphthalene);bis(gold(1+))
PubChem CID162499562
Molecular FormulaC49H38Au2P2+2
Molecular Weight1082.72 g/mol
Exact Mass1082.18
IUPAC Namediphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynylnaphthalene);bis(gold(1+))
SMILES[Au+].[Au+].[C-]#Cc1ccc2ccccc2c1.[C-]#Cc1ccc2ccccc2c1.c1ccc([PH+](C[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H22P2.2C12H7.2Au/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25;2*1-2-10-7-8-11-5-3-4-6-12(11)9-10;;/h1-20H,21H2;2*3-9H;;/q;2*-1;2*+1/p+2
InChIKeyJAANHOUNHULDLJ-UHFFFAOYSA-P
XLogP10.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001082.72
LogP ≤ 510.22
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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Frequently Asked Questions

What is the IUPAC name of diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynylnaphthalene);bis(gold(1+))?
The IUPAC name of diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynylnaphthalene);bis(gold(1+)) (CID 162499562) is diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynylnaphthalene);bis(gold(1+)).
What is the SMILES notation for diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynylnaphthalene);bis(gold(1+))?
The canonical SMILES for diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynylnaphthalene);bis(gold(1+)) is [Au+].[Au+].[C-]#Cc1ccc2ccccc2c1.[C-]#Cc1ccc2ccccc2c1.c1ccc([PH+](C[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynylnaphthalene);bis(gold(1+))?
The InChIKey is JAANHOUNHULDLJ-UHFFFAOYSA-P. The full InChI is InChI=1S/C25H22P2.2C12H7.2Au/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25;2*1-2-10-7-8-11-5-3-4-6-12(11)9-10;;/h1-20H,21H2;2*3-9H;;/q;2*-1;2*+1/p+2.
What are the key properties of diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynylnaphthalene);bis(gold(1+))?
diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynylnaphthalene);bis(gold(1+)) has a molecular weight of 1082.72 g/mol, XLogP of 10.22, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynylnaphthalene);bis(gold(1+)) is sourced from PubChem (CID 162499562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).