cyclohexa-2,4-dien-1-yl-(3-diphenylphosphaniumyldibenzofuran-2-yl)-phenylphosphanium;3-ethynyl-2,9-dihydro-1H-fluorene;2-ethynyl-9H-fluorene;bis(gold(1+))

C66H50Au2OP2+2 — CID 164790331

About cyclohexa-2,4-dien-1-yl-(3-diphenylphosphaniumyldibenzofuran-2-yl)-phenylphosphanium;3-ethynyl-2,9-dihydro-1H-fluorene;2-ethynyl-9H-fluorene;bis(gold(1+))

cyclohexa-2,4-dien-1-yl-(3-diphenylphosphaniumyldibenzofuran-2-yl)-phenylphosphanium;3-ethynyl-2,9-dihydro-1H-fluorene;2-ethynyl-9H-fluorene;bis(gold(1+)) (PubChem CID 164790331) has the molecular formula C66H50Au2OP2+2 and a molecular weight of 1315.01 g/mol. Its IUPAC name is cyclohexa-2,4-dien-1-yl-(3-diphenylphosphaniumyldibenzofuran-2-yl)-phenylphosphanium;3-ethynyl-2,9-dihydro-1H-fluorene;2-ethynyl-9H-fluorene;bis(gold(1+)).

Molecular Properties

• Compound Name: cyclohexa-2,4-dien-1-yl-(3-diphenylphosphaniumyldibenzofuran-2-yl)-phenylphosphanium;3-ethynyl-2,9-dihydro-1H-fluorene;2-ethynyl-9H-fluorene;bis(gold(1+))
• PubChem CID: 164790331
• Molecular Formula: C66H50Au2OP2+2
• Molecular Weight: 1315.01 g/mol
• Exact Mass: 1314.27
• IUPAC Name: cyclohexa-2,4-dien-1-yl-(3-diphenylphosphaniumyldibenzofuran-2-yl)-phenylphosphanium;3-ethynyl-2,9-dihydro-1H-fluorene;2-ethynyl-9H-fluorene;bis(gold(1+))
• SMILES: C1=CCC([PH+](c2ccccc2)c2cc3c(cc2[PH+](c2ccccc2)c2ccccc2)oc2ccccc23)C=C1.[Au+].[Au+].[C-]#CC1=CC2=C(CC1)Cc1ccccc12.[C-]#Cc1ccc2c(c1)Cc1ccccc1-2
• InChI: InChI=1S/C36H28OP2.C15H9.C15H11.2Au/c1-5-15-27(16-6-1)38(28-17-7-2-8-18-28)35-25-32-31-23-13-14-24-33(31)37-34(32)26-36(35)39(29-19-9-3-10-20-29)30-21-11-4-12-22-30;1-2-11-7-8-15-13(9-11)10-12-5-3-4-6-14(12)15;1-2-11-7-8-13-10-12-5-3-4-6-14(12)15(13)9-11;;/h1-17,19-26,28H,18H2;3-9H,10H2;3-6,9H,7-8,10H2;;/q;2*-1;2*+1/p+2
• InChIKey: IDYSPQRHECSATD-UHFFFAOYSA-P
• XLogP: 13.62
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1315.01
LogP ≤ 5	13.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

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'}

Frequently Asked Questions

What is the IUPAC name of cyclohexa-2,4-dien-1-yl-(3-diphenylphosphaniumyldibenzofuran-2-yl)-phenylphosphanium;3-ethynyl-2,9-dihydro-1H-fluorene;2-ethynyl-9H-fluorene;bis(gold(1+))?

The IUPAC name of cyclohexa-2,4-dien-1-yl-(3-diphenylphosphaniumyldibenzofuran-2-yl)-phenylphosphanium;3-ethynyl-2,9-dihydro-1H-fluorene;2-ethynyl-9H-fluorene;bis(gold(1+)) (CID 164790331) is cyclohexa-2,4-dien-1-yl-(3-diphenylphosphaniumyldibenzofuran-2-yl)-phenylphosphanium;3-ethynyl-2,9-dihydro-1H-fluorene;2-ethynyl-9H-fluorene;bis(gold(1+)).

What is the SMILES notation for cyclohexa-2,4-dien-1-yl-(3-diphenylphosphaniumyldibenzofuran-2-yl)-phenylphosphanium;3-ethynyl-2,9-dihydro-1H-fluorene;2-ethynyl-9H-fluorene;bis(gold(1+))?

The canonical SMILES for cyclohexa-2,4-dien-1-yl-(3-diphenylphosphaniumyldibenzofuran-2-yl)-phenylphosphanium;3-ethynyl-2,9-dihydro-1H-fluorene;2-ethynyl-9H-fluorene;bis(gold(1+)) is C1=CCC([PH+](c2ccccc2)c2cc3c(cc2[PH+](c2ccccc2)c2ccccc2)oc2ccccc23)C=C1.[Au+].[Au+].[C-]#CC1=CC2=C(CC1)Cc1ccccc12.[C-]#Cc1ccc2c(c1)Cc1ccccc1-2.

What is the InChIKey of cyclohexa-2,4-dien-1-yl-(3-diphenylphosphaniumyldibenzofuran-2-yl)-phenylphosphanium;3-ethynyl-2,9-dihydro-1H-fluorene;2-ethynyl-9H-fluorene;bis(gold(1+))?

The InChIKey is IDYSPQRHECSATD-UHFFFAOYSA-P. The full InChI is InChI=1S/C36H28OP2.C15H9.C15H11.2Au/c1-5-15-27(16-6-1)38(28-17-7-2-8-18-28)35-25-32-31-23-13-14-24-33(31)37-34(32)26-36(35)39(29-19-9-3-10-20-29)30-21-11-4-12-22-30;1-2-11-7-8-15-13(9-11)10-12-5-3-4-6-14(12)15;1-2-11-7-8-13-10-12-5-3-4-6-14(12)15(13)9-11;;/h1-17,19-26,28H,18H2;3-9H,10H2;3-6,9H,7-8,10H2;;/q;2*-1;2*+1/p+2.

What are the key properties of cyclohexa-2,4-dien-1-yl-(3-diphenylphosphaniumyldibenzofuran-2-yl)-phenylphosphanium;3-ethynyl-2,9-dihydro-1H-fluorene;2-ethynyl-9H-fluorene;bis(gold(1+))?

cyclohexa-2,4-dien-1-yl-(3-diphenylphosphaniumyldibenzofuran-2-yl)-phenylphosphanium;3-ethynyl-2,9-dihydro-1H-fluorene;2-ethynyl-9H-fluorene;bis(gold(1+)) has a molecular weight of 1315.01 g/mol, XLogP of 13.62, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexa-2,4-dien-1-yl-(3-diphenylphosphaniumyldibenzofuran-2-yl)-phenylphosphanium;3-ethynyl-2,9-dihydro-1H-fluorene;2-ethynyl-9H-fluorene;bis(gold(1+)) is sourced from PubChem (CID 164790331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).