3,6-bis(ethynyl)-9H-fluorene;3,6-bis(ethynyl)-9-methylcarbazole;bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+))

C94H69Au4NP4+4 — CID 164790417

About 3,6-bis(ethynyl)-9H-fluorene;3,6-bis(ethynyl)-9-methylcarbazole;bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+))

3,6-bis(ethynyl)-9H-fluorene;3,6-bis(ethynyl)-9-methylcarbazole;bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+)) (PubChem CID 164790417) has the molecular formula C94H69Au4NP4+4 and a molecular weight of 2124.36 g/mol. Its IUPAC name is 3,6-bis(ethynyl)-9H-fluorene;3,6-bis(ethynyl)-9-methylcarbazole;bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+)).

Molecular Properties

• Compound Name: 3,6-bis(ethynyl)-9H-fluorene;3,6-bis(ethynyl)-9-methylcarbazole;bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+))
• PubChem CID: 164790417
• Molecular Formula: C94H69Au4NP4+4
• Molecular Weight: 2124.36 g/mol
• Exact Mass: 2123.30
• IUPAC Name: 3,6-bis(ethynyl)-9H-fluorene;3,6-bis(ethynyl)-9-methylcarbazole;bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+))
• SMILES: [Au+].[Au+].[Au+].[Au+].[C-]#Cc1ccc2c(c1)-c1cc(C#[C-])ccc1C2.[C-]#Cc1ccc2c(c1)c1cc(C#[C-])ccc1n2C.c1ccc([PH+](c2ccccc2)c2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/2C30H24P2.C17H9N.C17H8.4Au/c2*1-5-15-25(16-6-1)31(26-17-7-2-8-18-26)29-23-13-14-24-30(29)32(27-19-9-3-10-20-27)28-21-11-4-12-22-28;1-4-12-6-8-16-14(10-12)15-11-13(5-2)7-9-17(15)18(16)3;1-3-12-5-7-14-11-15-8-6-13(4-2)10-17(15)16(14)9-12;;;;/h2*1-24H;6-11H,3H3;5-10H,11H2;;;;/q;;2*-2;4*+1/p+4
• InChIKey: JVPKMXCKKAXDLH-UHFFFAOYSA-R
• XLogP: 15.67
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 12
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2124.36
LogP ≤ 5	15.67
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 3,6-bis(ethynyl)-9H-fluorene;3,6-bis(ethynyl)-9-methylcarbazole;bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+))?

The IUPAC name of 3,6-bis(ethynyl)-9H-fluorene;3,6-bis(ethynyl)-9-methylcarbazole;bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+)) (CID 164790417) is 3,6-bis(ethynyl)-9H-fluorene;3,6-bis(ethynyl)-9-methylcarbazole;bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+)).

What is the SMILES notation for 3,6-bis(ethynyl)-9H-fluorene;3,6-bis(ethynyl)-9-methylcarbazole;bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+))?

The canonical SMILES for 3,6-bis(ethynyl)-9H-fluorene;3,6-bis(ethynyl)-9-methylcarbazole;bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+)) is [Au+].[Au+].[Au+].[Au+].[C-]#Cc1ccc2c(c1)-c1cc(C#[C-])ccc1C2.[C-]#Cc1ccc2c(c1)c1cc(C#[C-])ccc1n2C.c1ccc([PH+](c2ccccc2)c2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 3,6-bis(ethynyl)-9H-fluorene;3,6-bis(ethynyl)-9-methylcarbazole;bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+))?

The InChIKey is JVPKMXCKKAXDLH-UHFFFAOYSA-R. The full InChI is InChI=1S/2C30H24P2.C17H9N.C17H8.4Au/c2*1-5-15-25(16-6-1)31(26-17-7-2-8-18-26)29-23-13-14-24-30(29)32(27-19-9-3-10-20-27)28-21-11-4-12-22-28;1-4-12-6-8-16-14(10-12)15-11-13(5-2)7-9-17(15)18(16)3;1-3-12-5-7-14-11-15-8-6-13(4-2)10-17(15)16(14)9-12;;;;/h2*1-24H;6-11H,3H3;5-10H,11H2;;;;/q;;2*-2;4*+1/p+4.

What are the key properties of 3,6-bis(ethynyl)-9H-fluorene;3,6-bis(ethynyl)-9-methylcarbazole;bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+))?

3,6-bis(ethynyl)-9H-fluorene;3,6-bis(ethynyl)-9-methylcarbazole;bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+)) has a molecular weight of 2124.36 g/mol, XLogP of 15.67, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6-bis(ethynyl)-9H-fluorene;3,6-bis(ethynyl)-9-methylcarbazole;bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+)) is sourced from PubChem (CID 164790417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).