tris(2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium);bis(1-ethynylphenanthrene);bis(2-ethynylphenanthrene);bis(9-ethynylphenanthrene);hexakis(gold(1+))

C177H138Au6P6+6 — CID 163943977

About tris(2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium);bis(1-ethynylphenanthrene);bis(2-ethynylphenanthrene);bis(9-ethynylphenanthrene);hexakis(gold(1+))

tris(2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium);bis(1-ethynylphenanthrene);bis(2-ethynylphenanthrene);bis(9-ethynylphenanthrene);hexakis(gold(1+)) (PubChem CID 163943977) has the molecular formula C177H138Au6P6+6 and a molecular weight of 3632.70 g/mol. Its IUPAC name is tris(2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium);bis(1-ethynylphenanthrene);bis(2-ethynylphenanthrene);bis(9-ethynylphenanthrene);hexakis(gold(1+)).

Molecular Properties

• Compound Name: tris(2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium);bis(1-ethynylphenanthrene);bis(2-ethynylphenanthrene);bis(9-ethynylphenanthrene);hexakis(gold(1+))
• PubChem CID: 163943977
• Molecular Formula: C177H138Au6P6+6
• Molecular Weight: 3632.70 g/mol
• Exact Mass: 3630.72
• IUPAC Name: tris(2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium);bis(1-ethynylphenanthrene);bis(2-ethynylphenanthrene);bis(9-ethynylphenanthrene);hexakis(gold(1+))
• SMILES: CC(C)([PH+](c1ccccc1)c1ccccc1)[PH+](c1ccccc1)c1ccccc1.CC(C)([PH+](c1ccccc1)c1ccccc1)[PH+](c1ccccc1)c1ccccc1.CC(C)([PH+](c1ccccc1)c1ccccc1)[PH+](c1ccccc1)c1ccccc1.[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[C-]#Cc1cc2ccccc2c2ccccc12.[C-]#Cc1cc2ccccc2c2ccccc12.[C-]#Cc1ccc2c(ccc3ccccc32)c1.[C-]#Cc1ccc2c(ccc3ccccc32)c1.[C-]#Cc1cccc2c1ccc1ccccc12.[C-]#Cc1cccc2c1ccc1ccccc12
• InChI: InChI=1S/3C27H26P2.6C16H9.6Au/c3*1-27(2,28(23-15-7-3-8-16-23)24-17-9-4-10-18-24)29(25-19-11-5-12-20-25)26-21-13-6-14-22-26;2*1-2-12-11-13-7-3-4-9-15(13)16-10-6-5-8-14(12)16;2*1-2-12-7-5-9-16-14-8-4-3-6-13(14)10-11-15(12)16;2*1-2-12-7-10-16-14(11-12)9-8-13-5-3-4-6-15(13)16;;;;;;/h3*3-22H,1-2H3;6*3-11H;;;;;;/q;;;6*-1;6*+1/p+6
• InChIKey: ZUZFYGLNCUKRNU-UHFFFAOYSA-T
• XLogP: 39.93
• TPSA: 0.00 Ų
• Rotatable Bonds: 18
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3632.70
LogP ≤ 5	39.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

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'}

Frequently Asked Questions

What is the IUPAC name of tris(2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium);bis(1-ethynylphenanthrene);bis(2-ethynylphenanthrene);bis(9-ethynylphenanthrene);hexakis(gold(1+))?

The IUPAC name of tris(2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium);bis(1-ethynylphenanthrene);bis(2-ethynylphenanthrene);bis(9-ethynylphenanthrene);hexakis(gold(1+)) (CID 163943977) is tris(2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium);bis(1-ethynylphenanthrene);bis(2-ethynylphenanthrene);bis(9-ethynylphenanthrene);hexakis(gold(1+)).

What is the SMILES notation for tris(2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium);bis(1-ethynylphenanthrene);bis(2-ethynylphenanthrene);bis(9-ethynylphenanthrene);hexakis(gold(1+))?

The canonical SMILES for tris(2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium);bis(1-ethynylphenanthrene);bis(2-ethynylphenanthrene);bis(9-ethynylphenanthrene);hexakis(gold(1+)) is CC(C)([PH+](c1ccccc1)c1ccccc1)[PH+](c1ccccc1)c1ccccc1.CC(C)([PH+](c1ccccc1)c1ccccc1)[PH+](c1ccccc1)c1ccccc1.CC(C)([PH+](c1ccccc1)c1ccccc1)[PH+](c1ccccc1)c1ccccc1.[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[C-]#Cc1cc2ccccc2c2ccccc12.[C-]#Cc1cc2ccccc2c2ccccc12.[C-]#Cc1ccc2c(ccc3ccccc32)c1.[C-]#Cc1ccc2c(ccc3ccccc32)c1.[C-]#Cc1cccc2c1ccc1ccccc12.[C-]#Cc1cccc2c1ccc1ccccc12.

What is the InChIKey of tris(2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium);bis(1-ethynylphenanthrene);bis(2-ethynylphenanthrene);bis(9-ethynylphenanthrene);hexakis(gold(1+))?

The InChIKey is ZUZFYGLNCUKRNU-UHFFFAOYSA-T. The full InChI is InChI=1S/3C27H26P2.6C16H9.6Au/c3*1-27(2,28(23-15-7-3-8-16-23)24-17-9-4-10-18-24)29(25-19-11-5-12-20-25)26-21-13-6-14-22-26;2*1-2-12-11-13-7-3-4-9-15(13)16-10-6-5-8-14(12)16;2*1-2-12-7-5-9-16-14-8-4-3-6-13(14)10-11-15(12)16;2*1-2-12-7-10-16-14(11-12)9-8-13-5-3-4-6-15(13)16;;;;;;/h3*3-22H,1-2H3;6*3-11H;;;;;;/q;;;6*-1;6*+1/p+6.

What are the key properties of tris(2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium);bis(1-ethynylphenanthrene);bis(2-ethynylphenanthrene);bis(9-ethynylphenanthrene);hexakis(gold(1+))?

tris(2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium);bis(1-ethynylphenanthrene);bis(2-ethynylphenanthrene);bis(9-ethynylphenanthrene);hexakis(gold(1+)) has a molecular weight of 3632.70 g/mol, XLogP of 39.93, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for tris(2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium);bis(1-ethynylphenanthrene);bis(2-ethynylphenanthrene);bis(9-ethynylphenanthrene);hexakis(gold(1+)) is sourced from PubChem (CID 163943977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).