(2S,5S)-1-[[(2S,5S)-2,5-dimethylphospholan-1-ium-1-yl]methyl]-2,5-dimethylphospholan-1-ium;bis(3-ethynyl-9-methylcarbazole);bis(gold(1+))

C43H48Au2N2P2+2 — CID 164789956

About (2S,5S)-1-[[(2S,5S)-2,5-dimethylphospholan-1-ium-1-yl]methyl]-2,5-dimethylphospholan-1-ium;bis(3-ethynyl-9-methylcarbazole);bis(gold(1+))

(2S,5S)-1-[[(2S,5S)-2,5-dimethylphospholan-1-ium-1-yl]methyl]-2,5-dimethylphospholan-1-ium;bis(3-ethynyl-9-methylcarbazole);bis(gold(1+)) (PubChem CID 164789956) has the molecular formula C43H48Au2N2P2+2 and a molecular weight of 1048.75 g/mol. Its IUPAC name is (2S,5S)-1-[[(2S,5S)-2,5-dimethylphospholan-1-ium-1-yl]methyl]-2,5-dimethylphospholan-1-ium;bis(3-ethynyl-9-methylcarbazole);bis(gold(1+)).

Molecular Properties

• Compound Name: (2S,5S)-1-[[(2S,5S)-2,5-dimethylphospholan-1-ium-1-yl]methyl]-2,5-dimethylphospholan-1-ium;bis(3-ethynyl-9-methylcarbazole);bis(gold(1+))
• PubChem CID: 164789956
• Molecular Formula: C43H48Au2N2P2+2
• Molecular Weight: 1048.75 g/mol
• Exact Mass: 1048.26
• IUPAC Name: (2S,5S)-1-[[(2S,5S)-2,5-dimethylphospholan-1-ium-1-yl]methyl]-2,5-dimethylphospholan-1-ium;bis(3-ethynyl-9-methylcarbazole);bis(gold(1+))
• SMILES: C[C@H]1CC[C@H](C)[PH+]1C[PH+]1[C@@H](C)CC[C@@H]1C.[Au+].[Au+].[C-]#Cc1ccc2c(c1)c1ccccc1n2C.[C-]#Cc1ccc2c(c1)c1ccccc1n2C
• InChI: InChI=1S/2C15H10N.C13H26P2.2Au/c2*1-3-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15)2;1-10-5-6-11(2)14(10)9-15-12(3)7-8-13(15)4;;/h2*4-10H,2H3;10-13H,5-9H2,1-4H3;;/q2*-1;;2*+1/p+2/t;;10-,11-,12-,13-;;/m..0../s1
• InChIKey: HJMNQALCGNEQGQ-OZZSCGBVSA-P
• XLogP: 11.05
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1048.75
LogP ≤ 5	11.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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 (2S,5S)-1-[[(2S,5S)-2,5-dimethylphospholan-1-ium-1-yl]methyl]-2,5-dimethylphospholan-1-ium;bis(3-ethynyl-9-methylcarbazole);bis(gold(1+))?

The IUPAC name of (2S,5S)-1-[[(2S,5S)-2,5-dimethylphospholan-1-ium-1-yl]methyl]-2,5-dimethylphospholan-1-ium;bis(3-ethynyl-9-methylcarbazole);bis(gold(1+)) (CID 164789956) is (2S,5S)-1-[[(2S,5S)-2,5-dimethylphospholan-1-ium-1-yl]methyl]-2,5-dimethylphospholan-1-ium;bis(3-ethynyl-9-methylcarbazole);bis(gold(1+)).

What is the SMILES notation for (2S,5S)-1-[[(2S,5S)-2,5-dimethylphospholan-1-ium-1-yl]methyl]-2,5-dimethylphospholan-1-ium;bis(3-ethynyl-9-methylcarbazole);bis(gold(1+))?

The canonical SMILES for (2S,5S)-1-[[(2S,5S)-2,5-dimethylphospholan-1-ium-1-yl]methyl]-2,5-dimethylphospholan-1-ium;bis(3-ethynyl-9-methylcarbazole);bis(gold(1+)) is C[C@H]1CC[C@H](C)[PH+]1C[PH+]1[C@@H](C)CC[C@@H]1C.[Au+].[Au+].[C-]#Cc1ccc2c(c1)c1ccccc1n2C.[C-]#Cc1ccc2c(c1)c1ccccc1n2C.

What is the InChIKey of (2S,5S)-1-[[(2S,5S)-2,5-dimethylphospholan-1-ium-1-yl]methyl]-2,5-dimethylphospholan-1-ium;bis(3-ethynyl-9-methylcarbazole);bis(gold(1+))?

The InChIKey is HJMNQALCGNEQGQ-OZZSCGBVSA-P. The full InChI is InChI=1S/2C15H10N.C13H26P2.2Au/c2*1-3-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15)2;1-10-5-6-11(2)14(10)9-15-12(3)7-8-13(15)4;;/h2*4-10H,2H3;10-13H,5-9H2,1-4H3;;/q2*-1;;2*+1/p+2/t;;10-,11-,12-,13-;;/m..0../s1.

What are the key properties of (2S,5S)-1-[[(2S,5S)-2,5-dimethylphospholan-1-ium-1-yl]methyl]-2,5-dimethylphospholan-1-ium;bis(3-ethynyl-9-methylcarbazole);bis(gold(1+))?

(2S,5S)-1-[[(2S,5S)-2,5-dimethylphospholan-1-ium-1-yl]methyl]-2,5-dimethylphospholan-1-ium;bis(3-ethynyl-9-methylcarbazole);bis(gold(1+)) has a molecular weight of 1048.75 g/mol, XLogP of 11.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,5S)-1-[[(2S,5S)-2,5-dimethylphospholan-1-ium-1-yl]methyl]-2,5-dimethylphospholan-1-ium;bis(3-ethynyl-9-methylcarbazole);bis(gold(1+)) is sourced from PubChem (CID 164789956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).