(3-diphenylphosphaniumyl-5,6,7,8-tetrahydronaphthalen-2-yl)-diphenylphosphanium;bis(6-ethynylchrysene);bis(gold(1+))

C74H54Au2P2+2 — CID 162499417

About (3-diphenylphosphaniumyl-5,6,7,8-tetrahydronaphthalen-2-yl)-diphenylphosphanium;bis(6-ethynylchrysene);bis(gold(1+))

(3-diphenylphosphaniumyl-5,6,7,8-tetrahydronaphthalen-2-yl)-diphenylphosphanium;bis(6-ethynylchrysene);bis(gold(1+)) (PubChem CID 162499417) has the molecular formula C74H54Au2P2+2 and a molecular weight of 1399.13 g/mol. Its IUPAC name is (3-diphenylphosphaniumyl-5,6,7,8-tetrahydronaphthalen-2-yl)-diphenylphosphanium;bis(6-ethynylchrysene);bis(gold(1+)).

Molecular Properties

• Compound Name: (3-diphenylphosphaniumyl-5,6,7,8-tetrahydronaphthalen-2-yl)-diphenylphosphanium;bis(6-ethynylchrysene);bis(gold(1+))
• PubChem CID: 162499417
• Molecular Formula: C74H54Au2P2+2
• Molecular Weight: 1399.13 g/mol
• Exact Mass: 1398.30
• IUPAC Name: (3-diphenylphosphaniumyl-5,6,7,8-tetrahydronaphthalen-2-yl)-diphenylphosphanium;bis(6-ethynylchrysene);bis(gold(1+))
• SMILES: [Au+].[Au+].[C-]#Cc1cc2c3ccccc3ccc2c2ccccc12.[C-]#Cc1cc2c3ccccc3ccc2c2ccccc12.c1ccc([PH+](c2ccccc2)c2cc3c(cc2[PH+](c2ccccc2)c2ccccc2)CCCC3)cc1
• InChI: InChI=1S/C34H30P2.2C20H11.2Au/c1-5-17-29(18-6-1)35(30-19-7-2-8-20-30)33-25-27-15-13-14-16-28(27)26-34(33)36(31-21-9-3-10-22-31)32-23-11-4-12-24-32;2*1-2-14-13-20-17-9-4-3-7-15(17)11-12-19(20)18-10-6-5-8-16(14)18;;/h1-12,17-26H,13-16H2;2*3-13H;;/q;2*-1;2*+1/p+2
• InChIKey: LKOYYXMGWKBMNI-UHFFFAOYSA-P
• XLogP: 15.71
• TPSA: 0.00 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1399.13
LogP ≤ 5	15.71
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 (3-diphenylphosphaniumyl-5,6,7,8-tetrahydronaphthalen-2-yl)-diphenylphosphanium;bis(6-ethynylchrysene);bis(gold(1+))?

The IUPAC name of (3-diphenylphosphaniumyl-5,6,7,8-tetrahydronaphthalen-2-yl)-diphenylphosphanium;bis(6-ethynylchrysene);bis(gold(1+)) (CID 162499417) is (3-diphenylphosphaniumyl-5,6,7,8-tetrahydronaphthalen-2-yl)-diphenylphosphanium;bis(6-ethynylchrysene);bis(gold(1+)).

What is the SMILES notation for (3-diphenylphosphaniumyl-5,6,7,8-tetrahydronaphthalen-2-yl)-diphenylphosphanium;bis(6-ethynylchrysene);bis(gold(1+))?

The canonical SMILES for (3-diphenylphosphaniumyl-5,6,7,8-tetrahydronaphthalen-2-yl)-diphenylphosphanium;bis(6-ethynylchrysene);bis(gold(1+)) is [Au+].[Au+].[C-]#Cc1cc2c3ccccc3ccc2c2ccccc12.[C-]#Cc1cc2c3ccccc3ccc2c2ccccc12.c1ccc([PH+](c2ccccc2)c2cc3c(cc2[PH+](c2ccccc2)c2ccccc2)CCCC3)cc1.

What is the InChIKey of (3-diphenylphosphaniumyl-5,6,7,8-tetrahydronaphthalen-2-yl)-diphenylphosphanium;bis(6-ethynylchrysene);bis(gold(1+))?

The InChIKey is LKOYYXMGWKBMNI-UHFFFAOYSA-P. The full InChI is InChI=1S/C34H30P2.2C20H11.2Au/c1-5-17-29(18-6-1)35(30-19-7-2-8-20-30)33-25-27-15-13-14-16-28(27)26-34(33)36(31-21-9-3-10-22-31)32-23-11-4-12-24-32;2*1-2-14-13-20-17-9-4-3-7-15(17)11-12-19(20)18-10-6-5-8-16(14)18;;/h1-12,17-26H,13-16H2;2*3-13H;;/q;2*-1;2*+1/p+2.

What are the key properties of (3-diphenylphosphaniumyl-5,6,7,8-tetrahydronaphthalen-2-yl)-diphenylphosphanium;bis(6-ethynylchrysene);bis(gold(1+))?

(3-diphenylphosphaniumyl-5,6,7,8-tetrahydronaphthalen-2-yl)-diphenylphosphanium;bis(6-ethynylchrysene);bis(gold(1+)) has a molecular weight of 1399.13 g/mol, XLogP of 15.71, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for (3-diphenylphosphaniumyl-5,6,7,8-tetrahydronaphthalen-2-yl)-diphenylphosphanium;bis(6-ethynylchrysene);bis(gold(1+)) is sourced from PubChem (CID 162499417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).