bis(9H-anthracen-9-ide);diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(gold(1+))

C53H42Au2P2+2 — CID 162499550

IUPACbis(9H-anthracen-9-ide);diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(gold(1+))
SMILES[Au+].[Au+].[c-]1c2ccccc2cc2ccccc12.[c-]1c2ccccc2cc2ccccc12.c1ccc([PH+](C[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H22P2.2C14H9.2Au/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*1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;;/h1-20H,21H2;2*1-9H;;/q;2*-1;2*+1/p+2
InChIKeyJVPXUANMEYBKQI-UHFFFAOYSA-P
MW1134.80 g/mol
LogP12.26
Rot. Bonds6

About bis(9H-anthracen-9-ide);diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(gold(1+))

bis(9H-anthracen-9-ide);diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(gold(1+)) (PubChem CID 162499550) has the molecular formula C53H42Au2P2+2 and a molecular weight of 1134.80 g/mol. Its IUPAC name is bis(9H-anthracen-9-ide);diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(gold(1+)).

Molecular Properties

Compound Namebis(9H-anthracen-9-ide);diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(gold(1+))
PubChem CID162499550
Molecular FormulaC53H42Au2P2+2
Molecular Weight1134.80 g/mol
Exact Mass1134.21
IUPAC Namebis(9H-anthracen-9-ide);diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(gold(1+))
SMILES[Au+].[Au+].[c-]1c2ccccc2cc2ccccc12.[c-]1c2ccccc2cc2ccccc12.c1ccc([PH+](C[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H22P2.2C14H9.2Au/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*1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;;/h1-20H,21H2;2*1-9H;;/q;2*-1;2*+1/p+2
InChIKeyJVPXUANMEYBKQI-UHFFFAOYSA-P
XLogP12.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001134.80
LogP ≤ 512.26
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'}

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Frequently Asked Questions

What is the IUPAC name of bis(9H-anthracen-9-ide);diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(gold(1+))?
The IUPAC name of bis(9H-anthracen-9-ide);diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(gold(1+)) (CID 162499550) is bis(9H-anthracen-9-ide);diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(gold(1+)).
What is the SMILES notation for bis(9H-anthracen-9-ide);diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(gold(1+))?
The canonical SMILES for bis(9H-anthracen-9-ide);diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(gold(1+)) is [Au+].[Au+].[c-]1c2ccccc2cc2ccccc12.[c-]1c2ccccc2cc2ccccc12.c1ccc([PH+](C[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(9H-anthracen-9-ide);diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(gold(1+))?
The InChIKey is JVPXUANMEYBKQI-UHFFFAOYSA-P. The full InChI is InChI=1S/C25H22P2.2C14H9.2Au/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*1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;;/h1-20H,21H2;2*1-9H;;/q;2*-1;2*+1/p+2.
What are the key properties of bis(9H-anthracen-9-ide);diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(gold(1+))?
bis(9H-anthracen-9-ide);diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(gold(1+)) has a molecular weight of 1134.80 g/mol, XLogP of 12.26, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(9H-anthracen-9-ide);diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(gold(1+)) is sourced from PubChem (CID 162499550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).