1,3,5-trimethyl-2-[2-[methyl(phenyl)phosphoryl]oxy-2-phenyl-1-(2,4,6-trimethylphenyl)ethenyl]benzene

C33H35O2P — CID 10983851

About 1,3,5-trimethyl-2-[2-[methyl(phenyl)phosphoryl]oxy-2-phenyl-1-(2,4,6-trimethylphenyl)ethenyl]benzene

1,3,5-trimethyl-2-[2-[methyl(phenyl)phosphoryl]oxy-2-phenyl-1-(2,4,6-trimethylphenyl)ethenyl]benzene (PubChem CID 10983851) has the molecular formula C33H35O2P and a molecular weight of 494.62 g/mol. Its IUPAC name is 1,3,5-trimethyl-2-[2-[methyl(phenyl)phosphoryl]oxy-2-phenyl-1-(2,4,6-trimethylphenyl)ethenyl]benzene.

Molecular Properties

• Compound Name: 1,3,5-trimethyl-2-[2-[methyl(phenyl)phosphoryl]oxy-2-phenyl-1-(2,4,6-trimethylphenyl)ethenyl]benzene
• PubChem CID: 10983851
• Molecular Formula: C33H35O2P
• Molecular Weight: 494.62 g/mol
• Exact Mass: 494.24
• IUPAC Name: 1,3,5-trimethyl-2-[2-[methyl(phenyl)phosphoryl]oxy-2-phenyl-1-(2,4,6-trimethylphenyl)ethenyl]benzene
• SMILES: Cc1cc(C)c(C(=C(OP(C)(=O)c2ccccc2)c2ccccc2)c2c(C)cc(C)cc2C)c(C)c1
• InChI: InChI=1S/C33H35O2P/c1-22-18-24(3)30(25(4)19-22)32(31-26(5)20-23(2)21-27(31)6)33(28-14-10-8-11-15-28)35-36(7,34)29-16-12-9-13-17-29/h8-21H,1-7H3
• InChIKey: HUCFHMQCNOUVMB-UHFFFAOYSA-N
• XLogP: 8.70
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.62
LogP ≤ 5	8.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-2-[2-[methyl(phenyl)phosphoryl]oxy-2-phenyl-1-(2,4,6-trimethylphenyl)ethenyl]benzene?

The IUPAC name of 1,3,5-trimethyl-2-[2-[methyl(phenyl)phosphoryl]oxy-2-phenyl-1-(2,4,6-trimethylphenyl)ethenyl]benzene (CID 10983851) is 1,3,5-trimethyl-2-[2-[methyl(phenyl)phosphoryl]oxy-2-phenyl-1-(2,4,6-trimethylphenyl)ethenyl]benzene.

What is the SMILES notation for 1,3,5-trimethyl-2-[2-[methyl(phenyl)phosphoryl]oxy-2-phenyl-1-(2,4,6-trimethylphenyl)ethenyl]benzene?

The canonical SMILES for 1,3,5-trimethyl-2-[2-[methyl(phenyl)phosphoryl]oxy-2-phenyl-1-(2,4,6-trimethylphenyl)ethenyl]benzene is Cc1cc(C)c(C(=C(OP(C)(=O)c2ccccc2)c2ccccc2)c2c(C)cc(C)cc2C)c(C)c1.

What is the InChIKey of 1,3,5-trimethyl-2-[2-[methyl(phenyl)phosphoryl]oxy-2-phenyl-1-(2,4,6-trimethylphenyl)ethenyl]benzene?

The InChIKey is HUCFHMQCNOUVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35O2P/c1-22-18-24(3)30(25(4)19-22)32(31-26(5)20-23(2)21-27(31)6)33(28-14-10-8-11-15-28)35-36(7,34)29-16-12-9-13-17-29/h8-21H,1-7H3.

What are the key properties of 1,3,5-trimethyl-2-[2-[methyl(phenyl)phosphoryl]oxy-2-phenyl-1-(2,4,6-trimethylphenyl)ethenyl]benzene?

1,3,5-trimethyl-2-[2-[methyl(phenyl)phosphoryl]oxy-2-phenyl-1-(2,4,6-trimethylphenyl)ethenyl]benzene has a molecular weight of 494.62 g/mol, XLogP of 8.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3,5-trimethyl-2-[2-[methyl(phenyl)phosphoryl]oxy-2-phenyl-1-(2,4,6-trimethylphenyl)ethenyl]benzene is sourced from PubChem (CID 10983851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).