carbanide;methanone;2-phenylbut-3-en-2-ylbenzene;rhodium(3+);bis(triphenylphosphanium)

C54H51OP2Rh+2 — CID 134835467

About carbanide;methanone;2-phenylbut-3-en-2-ylbenzene;rhodium(3+);bis(triphenylphosphanium)

carbanide;methanone;2-phenylbut-3-en-2-ylbenzene;rhodium(3+);bis(triphenylphosphanium) (PubChem CID 134835467) has the molecular formula C54H51OP2Rh+2 and a molecular weight of 880.86 g/mol. Its IUPAC name is carbanide;methanone;2-phenylbut-3-en-2-ylbenzene;rhodium(3+);bis(triphenylphosphanium).

Molecular Properties

• Compound Name: carbanide;methanone;2-phenylbut-3-en-2-ylbenzene;rhodium(3+);bis(triphenylphosphanium)
• PubChem CID: 134835467
• Molecular Formula: C54H51OP2Rh+2
• Molecular Weight: 880.86 g/mol
• Exact Mass: 880.25
• IUPAC Name: carbanide;methanone;2-phenylbut-3-en-2-ylbenzene;rhodium(3+);bis(triphenylphosphanium)
• SMILES: C=CC([CH2-])(c1ccccc1)c1ccccc1.[CH-]=O.[CH3-].[Rh+3].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/2C18H15P.C16H15.CHO.CH3.Rh/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-16(2,14-10-6-4-7-11-14)15-12-8-5-9-13-15;1-2;;/h2*1-15H;3-13H,1-2H2;1H;1H3;/q;;3*-1;+3/p+2
• InChIKey: ZBLMECHTDLJCKM-UHFFFAOYSA-P
• XLogP: 10.52
• TPSA: 17.07 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	880.86
LogP ≤ 5	10.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbanide;methanone;2-phenylbut-3-en-2-ylbenzene;rhodium(3+);bis(triphenylphosphanium)?

The IUPAC name of carbanide;methanone;2-phenylbut-3-en-2-ylbenzene;rhodium(3+);bis(triphenylphosphanium) (CID 134835467) is carbanide;methanone;2-phenylbut-3-en-2-ylbenzene;rhodium(3+);bis(triphenylphosphanium).

What is the SMILES notation for carbanide;methanone;2-phenylbut-3-en-2-ylbenzene;rhodium(3+);bis(triphenylphosphanium)?

The canonical SMILES for carbanide;methanone;2-phenylbut-3-en-2-ylbenzene;rhodium(3+);bis(triphenylphosphanium) is C=CC([CH2-])(c1ccccc1)c1ccccc1.[CH-]=O.[CH3-].[Rh+3].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of carbanide;methanone;2-phenylbut-3-en-2-ylbenzene;rhodium(3+);bis(triphenylphosphanium)?

The InChIKey is ZBLMECHTDLJCKM-UHFFFAOYSA-P. The full InChI is InChI=1S/2C18H15P.C16H15.CHO.CH3.Rh/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-16(2,14-10-6-4-7-11-14)15-12-8-5-9-13-15;1-2;;/h2*1-15H;3-13H,1-2H2;1H;1H3;/q;;3*-1;+3/p+2.

What are the key properties of carbanide;methanone;2-phenylbut-3-en-2-ylbenzene;rhodium(3+);bis(triphenylphosphanium)?

carbanide;methanone;2-phenylbut-3-en-2-ylbenzene;rhodium(3+);bis(triphenylphosphanium) has a molecular weight of 880.86 g/mol, XLogP of 10.52, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;methanone;2-phenylbut-3-en-2-ylbenzene;rhodium(3+);bis(triphenylphosphanium) is sourced from PubChem (CID 134835467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).