(Z)-3-(2,6-dimethylphenyl)imino-1-(2,4,6-triphenylphenyl)but-1-en-1-ol;trichlorotungsten

C36H31Cl3NOW — CID 135997415

About (Z)-3-(2,6-dimethylphenyl)imino-1-(2,4,6-triphenylphenyl)but-1-en-1-ol;trichlorotungsten

(Z)-3-(2,6-dimethylphenyl)imino-1-(2,4,6-triphenylphenyl)but-1-en-1-ol;trichlorotungsten (PubChem CID 135997415) has the molecular formula C36H31Cl3NOW and a molecular weight of 783.85 g/mol. Its IUPAC name is (Z)-3-(2,6-dimethylphenyl)imino-1-(2,4,6-triphenylphenyl)but-1-en-1-ol;trichlorotungsten.

Molecular Properties

• Compound Name: (Z)-3-(2,6-dimethylphenyl)imino-1-(2,4,6-triphenylphenyl)but-1-en-1-ol;trichlorotungsten
• PubChem CID: 135997415
• Molecular Formula: C36H31Cl3NOW
• Molecular Weight: 783.85 g/mol
• Exact Mass: 782.10
• IUPAC Name: (Z)-3-(2,6-dimethylphenyl)imino-1-(2,4,6-triphenylphenyl)but-1-en-1-ol;trichlorotungsten
• SMILES: CC(/C=C(\O)c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1)=N\c1c(C)cccc1C.Cl[W](Cl)Cl
• InChI: InChI=1S/C36H31NO.3ClH.W/c1-25-14-13-15-26(2)36(25)37-27(3)22-34(38)35-32(29-18-9-5-10-19-29)23-31(28-16-7-4-8-17-28)24-33(35)30-20-11-6-12-21-30;;;;/h4-24,38H,1-3H3;3*1H;/q;;;;+3/p-3/b34-22-,37-27+
• InChIKey: SGGVPSYPIDBKHP-VIQLUHQGSA-K
• XLogP: 12.06
• TPSA: 32.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	783.85
LogP ≤ 5	12.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2,6-dimethylphenyl)imino-1-(2,4,6-triphenylphenyl)but-1-en-1-ol;trichlorotungsten?

The IUPAC name of (Z)-3-(2,6-dimethylphenyl)imino-1-(2,4,6-triphenylphenyl)but-1-en-1-ol;trichlorotungsten (CID 135997415) is (Z)-3-(2,6-dimethylphenyl)imino-1-(2,4,6-triphenylphenyl)but-1-en-1-ol;trichlorotungsten.

What is the SMILES notation for (Z)-3-(2,6-dimethylphenyl)imino-1-(2,4,6-triphenylphenyl)but-1-en-1-ol;trichlorotungsten?

The canonical SMILES for (Z)-3-(2,6-dimethylphenyl)imino-1-(2,4,6-triphenylphenyl)but-1-en-1-ol;trichlorotungsten is CC(/C=C(\O)c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1)=N\c1c(C)cccc1C.Cl[W](Cl)Cl.

What is the InChIKey of (Z)-3-(2,6-dimethylphenyl)imino-1-(2,4,6-triphenylphenyl)but-1-en-1-ol;trichlorotungsten?

The InChIKey is SGGVPSYPIDBKHP-VIQLUHQGSA-K. The full InChI is InChI=1S/C36H31NO.3ClH.W/c1-25-14-13-15-26(2)36(25)37-27(3)22-34(38)35-32(29-18-9-5-10-19-29)23-31(28-16-7-4-8-17-28)24-33(35)30-20-11-6-12-21-30;;;;/h4-24,38H,1-3H3;3*1H;/q;;;;+3/p-3/b34-22-,37-27+;;;;.

What are the key properties of (Z)-3-(2,6-dimethylphenyl)imino-1-(2,4,6-triphenylphenyl)but-1-en-1-ol;trichlorotungsten?

(Z)-3-(2,6-dimethylphenyl)imino-1-(2,4,6-triphenylphenyl)but-1-en-1-ol;trichlorotungsten has a molecular weight of 783.85 g/mol, XLogP of 12.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-3-(2,6-dimethylphenyl)imino-1-(2,4,6-triphenylphenyl)but-1-en-1-ol;trichlorotungsten is sourced from PubChem (CID 135997415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).