dicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;bis(9-ethynylphenanthrene);bis(gold(1+))

C58H68Au2P2+2 — CID 162499882

IUPACdicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;bis(9-ethynylphenanthrene);bis(gold(1+))
SMILESC1CCC([PH+](CC[PH+](C2CCCCC2)C2CCCCC2)C2CCCCC2)CC1.[Au+].[Au+].[C-]#Cc1cc2ccccc2c2ccccc12.[C-]#Cc1cc2ccccc2c2ccccc12
InChIInChI=1S/C26H48P2.2C16H9.2Au/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*1-2-12-11-13-7-3-4-9-15(13)16-10-6-5-8-14(12)16;;/h23-26H,1-22H2;2*3-11H;;/q;2*-1;2*+1/p+2
InChIKeyZBXFQJVQPKJMIO-UHFFFAOYSA-P
MW1221.06 g/mol
LogP16.60
Rot. Bonds7

About dicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;bis(9-ethynylphenanthrene);bis(gold(1+))

dicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;bis(9-ethynylphenanthrene);bis(gold(1+)) (PubChem CID 162499882) has the molecular formula C58H68Au2P2+2 and a molecular weight of 1221.06 g/mol. Its IUPAC name is dicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;bis(9-ethynylphenanthrene);bis(gold(1+)).

Molecular Properties

Compound Namedicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;bis(9-ethynylphenanthrene);bis(gold(1+))
PubChem CID162499882
Molecular FormulaC58H68Au2P2+2
Molecular Weight1221.06 g/mol
Exact Mass1220.41
IUPAC Namedicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;bis(9-ethynylphenanthrene);bis(gold(1+))
SMILESC1CCC([PH+](CC[PH+](C2CCCCC2)C2CCCCC2)C2CCCCC2)CC1.[Au+].[Au+].[C-]#Cc1cc2ccccc2c2ccccc12.[C-]#Cc1cc2ccccc2c2ccccc12
InChIInChI=1S/C26H48P2.2C16H9.2Au/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*1-2-12-11-13-7-3-4-9-15(13)16-10-6-5-8-14(12)16;;/h23-26H,1-22H2;2*3-11H;;/q;2*-1;2*+1/p+2
InChIKeyZBXFQJVQPKJMIO-UHFFFAOYSA-P
XLogP16.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001221.06
LogP ≤ 516.60
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

disilver;dicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;bis(9-ethynylphenanthrene)
CID 162499411
silver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(9-ethynylphenanthrene);gold(1+)
CID 162499383
hexasilver;2-bis(2-methylphenyl)phosphaniumylethyl-bis(2-methylphenyl)phosphanium;dicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;2-dimethylphosphaniumylethyl(diphenyl)phosphanium;hexakis(9-ethynylanthracene)
CID 163814394
(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;6-ethynylchrysene;9-ethynylphenanthrene;bis(gold(1+))
CID 162499487
dicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+))
CID 164790311
disilver;diphenylphosphaniumylmethyl(diphenyl)phosphanium;1-ethynylphenanthrene;9-ethynylphenanthrene
CID 162499694
(3-diphenylphosphaniumyl-5,6,7,8-tetrahydronaphthalen-2-yl)-diphenylphosphanium;bis(6-ethynylchrysene);bis(gold(1+))
CID 162499417
tris(2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium);bis(1-ethynylphenanthrene);bis(2-ethynylphenanthrene);bis(9-ethynylphenanthrene);hexakis(gold(1+))
CID 163943977
bis(9-ethynylphenanthrene);bis(gold(1+));(2-methylphenyl)-(3-methylphenyl)-[2-[(2-methylphenyl)-(3-methylphenyl)phosphaniumyl]phenyl]phosphanium
CID 162499630
9-[2-(cyclohexen-1-yl)ethynyl]phenanthrene
CID 102411203
2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(gold(1+))
CID 162499688
heptacyclo[16.12.0.03,16.04,13.07,12.019,28.022,27]triaconta-1,3(16),4(13),5,7,9,11,14,17,19(28),20,22,24,26,29-pentadecaene
CID 6431039

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;bis(9-ethynylphenanthrene);bis(gold(1+))?
The IUPAC name of dicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;bis(9-ethynylphenanthrene);bis(gold(1+)) (CID 162499882) is dicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;bis(9-ethynylphenanthrene);bis(gold(1+)).
What is the SMILES notation for dicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;bis(9-ethynylphenanthrene);bis(gold(1+))?
The canonical SMILES for dicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;bis(9-ethynylphenanthrene);bis(gold(1+)) is C1CCC([PH+](CC[PH+](C2CCCCC2)C2CCCCC2)C2CCCCC2)CC1.[Au+].[Au+].[C-]#Cc1cc2ccccc2c2ccccc12.[C-]#Cc1cc2ccccc2c2ccccc12.
What is the InChIKey of dicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;bis(9-ethynylphenanthrene);bis(gold(1+))?
The InChIKey is ZBXFQJVQPKJMIO-UHFFFAOYSA-P. The full InChI is InChI=1S/C26H48P2.2C16H9.2Au/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*1-2-12-11-13-7-3-4-9-15(13)16-10-6-5-8-14(12)16;;/h23-26H,1-22H2;2*3-11H;;/q;2*-1;2*+1/p+2.
What are the key properties of dicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;bis(9-ethynylphenanthrene);bis(gold(1+))?
dicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;bis(9-ethynylphenanthrene);bis(gold(1+)) has a molecular weight of 1221.06 g/mol, XLogP of 16.60, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;bis(9-ethynylphenanthrene);bis(gold(1+)) is sourced from PubChem (CID 162499882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).