3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;bis(4-bromo-2,3,5,6-tetraphenylphenol);(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);(2-methylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminotungsten

C156H156Br4F3N6O4SiW3-3 — CID 158079856

About 3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;bis(4-bromo-2,3,5,6-tetraphenylphenol);(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);(2-methylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminotungsten

3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;bis(4-bromo-2,3,5,6-tetraphenylphenol);(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);(2-methylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminotungsten (PubChem CID 158079856) has the molecular formula C156H156Br4F3N6O4SiW3-3 and a molecular weight of 3135.22 g/mol. Its IUPAC name is 3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;bis(4-bromo-2,3,5,6-tetraphenylphenol);(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);(2-methylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminotungsten.

Molecular Properties

• Compound Name: 3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;bis(4-bromo-2,3,5,6-tetraphenylphenol);(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);(2-methylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminotungsten
• PubChem CID: 158079856
• Molecular Formula: C156H156Br4F3N6O4SiW3-3
• Molecular Weight: 3135.22 g/mol
• Exact Mass: 3129.72
• IUPAC Name: 3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;bis(4-bromo-2,3,5,6-tetraphenylphenol);(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);(2-methylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminotungsten
• SMILES: CC(C)(C)[Si](C)(C)Oc1c(Br)cc2c(c1-c1c(O)c(Br)cc3c1CCCC3)CCCC2.CC(C)(C=[W]=Nc1ccccc1C(F)(F)F)c1ccccc1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1cccc(C)c1N=[W]=CC(C)(C)c1ccccc1.Cc1ccccc1N=[W]=CC(C)(C)c1ccccc1.Oc1c(-c2ccccc2)c(-c2ccccc2)c(Br)c(-c2ccccc2)c1-c1ccccc1.Oc1c(-c2ccccc2)c(-c2ccccc2)c(Br)c(-c2ccccc2)c1-c1ccccc1
• InChI: InChI=1S/2C30H21BrO.C26H34Br2O2Si.3C10H12.C8H9N.C7H4F3N.C7H7N.3C6H8N.3W/c2*31-29-25(21-13-5-1-6-14-21)27(23-17-9-3-10-18-23)30(32)28(24-19-11-4-12-20-24)26(29)22-15-7-2-8-16-22;1-26(2,3)31(4,5)30-25-21(28)15-17-11-7-9-13-19(17)23(25)22-18-12-8-6-10-16(18)14-20(27)24(22)29;3*1-10(2,3)9-7-5-4-6-8-9;1-6-4-3-5-7(2)8(6)9;8-7(9,10)5-3-1-2-4-6(5)11;1-6-4-2-3-5-7(6)8;3*1-5-3-4-6(2)7-5;;;/h2*1-20,32H;14-15,29H,6-13H2,1-5H3;3*1,4-8H,2-3H3;3-5H,1-2H3;1-4H;2-5H,1H3;3*3-4H,1-2H3;;;/q;;;;;;;;;3*-1
• InChIKey: SQIXOEJSFVMCIM-UHFFFAOYSA-N
• XLogP: 45.19
• TPSA: 149.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 20
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3135.22
LogP ≤ 5	45.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;bis(4-bromo-2,3,5,6-tetraphenylphenol);(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);(2-methylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminotungsten?

The IUPAC name of 3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;bis(4-bromo-2,3,5,6-tetraphenylphenol);(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);(2-methylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminotungsten (CID 158079856) is 3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;bis(4-bromo-2,3,5,6-tetraphenylphenol);(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);(2-methylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminotungsten.

What is the SMILES notation for 3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;bis(4-bromo-2,3,5,6-tetraphenylphenol);(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);(2-methylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminotungsten?

The canonical SMILES for 3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;bis(4-bromo-2,3,5,6-tetraphenylphenol);(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);(2-methylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminotungsten is CC(C)(C)[Si](C)(C)Oc1c(Br)cc2c(c1-c1c(O)c(Br)cc3c1CCCC3)CCCC2.CC(C)(C=[W]=Nc1ccccc1C(F)(F)F)c1ccccc1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1cccc(C)c1N=[W]=CC(C)(C)c1ccccc1.Cc1ccccc1N=[W]=CC(C)(C)c1ccccc1.Oc1c(-c2ccccc2)c(-c2ccccc2)c(Br)c(-c2ccccc2)c1-c1ccccc1.Oc1c(-c2ccccc2)c(-c2ccccc2)c(Br)c(-c2ccccc2)c1-c1ccccc1.

What is the InChIKey of 3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;bis(4-bromo-2,3,5,6-tetraphenylphenol);(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);(2-methylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminotungsten?

The InChIKey is SQIXOEJSFVMCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H21BrO.C26H34Br2O2Si.3C10H12.C8H9N.C7H4F3N.C7H7N.3C6H8N.3W/c2*31-29-25(21-13-5-1-6-14-21)27(23-17-9-3-10-18-23)30(32)28(24-19-11-4-12-20-24)26(29)22-15-7-2-8-16-22;1-26(2,3)31(4,5)30-25-21(28)15-17-11-7-9-13-19(17)23(25)22-18-12-8-6-10-16(18)14-20(27)24(22)29;3*1-10(2,3)9-7-5-4-6-8-9;1-6-4-3-5-7(2)8(6)9;8-7(9,10)5-3-1-2-4-6(5)11;1-6-4-2-3-5-7(6)8;3*1-5-3-4-6(2)7-5;;;/h2*1-20,32H;14-15,29H,6-13H2,1-5H3;3*1,4-8H,2-3H3;3-5H,1-2H3;1-4H;2-5H,1H3;3*3-4H,1-2H3;;;/q;;;;;;;;;3*-1;;;.

What are the key properties of 3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;bis(4-bromo-2,3,5,6-tetraphenylphenol);(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);(2-methylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminotungsten?

3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;bis(4-bromo-2,3,5,6-tetraphenylphenol);(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);(2-methylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminotungsten has a molecular weight of 3135.22 g/mol, XLogP of 45.19, 20 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;bis(4-bromo-2,3,5,6-tetraphenylphenol);(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);(2-methylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminotungsten is sourced from PubChem (CID 158079856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).