3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]naphthalen-2-ol;tris((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum);tris(2,5-dimethylpyrrol-1-ide);3-methyl-1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-methyl-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol

C160H182Br2F3Mo3N6O4Si-3 — CID 162012869

About 3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]naphthalen-2-ol;tris((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum);tris(2,5-dimethylpyrrol-1-ide);3-methyl-1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-methyl-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol

3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]naphthalen-2-ol;tris((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum);tris(2,5-dimethylpyrrol-1-ide);3-methyl-1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-methyl-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 162012869) has the molecular formula C160H182Br2F3Mo3N6O4Si-3 and a molecular weight of 2785.96 g/mol. Its IUPAC name is 3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]naphthalen-2-ol;tris((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum);tris(2,5-dimethylpyrrol-1-ide);3-methyl-1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-methyl-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

• Compound Name: 3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]naphthalen-2-ol;tris((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum);tris(2,5-dimethylpyrrol-1-ide);3-methyl-1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-methyl-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
• PubChem CID: 162012869
• Molecular Formula: C160H182Br2F3Mo3N6O4Si-3
• Molecular Weight: 2785.96 g/mol
• Exact Mass: 2787.95
• IUPAC Name: 3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]naphthalen-2-ol;tris((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum);tris(2,5-dimethylpyrrol-1-ide);3-methyl-1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-methyl-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
• SMILES: CC(C)(C)[Si](C)(C)Oc1c(Br)cc2ccccc2c1-c1c(O)c(Br)cc2ccccc12.Cc1cc(C)c(-c2cc3c(c(-c4c(O)c(-c5c(C)cc(C)cc5C)cc5c4CCCC5)c2C)CCCC3)c(C)c1.Cc1cc2c(c(-c3c(C)c(C(F)(F)F)cc4c3CCCC4)c1O)CCCC2.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1cccc(C)c1N=[Mo]=CC(C)(C)c1ccccc1.Cc1cccc(C)c1N=[Mo]=CC(C)(C)c1ccccc1.Cc1cccc(C)c1N=[Mo]=CC(C)(C)c1ccccc1
• InChI: InChI=1S/C39H44O.C26H26Br2O2Si.C23H25F3O.3C10H12.3C8H9N.3C6H8N.3Mo/c1-22-16-24(3)35(25(4)17-22)33-20-29-12-8-10-14-31(29)37(28(33)7)38-32-15-11-9-13-30(32)21-34(39(38)40)36-26(5)18-23(2)19-27(36)6;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;1-13-11-15-7-3-6-10-18(15)21(22(13)27)20-14(2)19(23(24,25)26)12-16-8-4-5-9-17(16)20;3*1-10(2,3)9-7-5-4-6-8-9;3*1-6-4-3-5-7(2)8(6)9;3*1-5-3-4-6(2)7-5;;;/h16-21,40H,8-15H2,1-7H3;6-15,29H,1-5H3;11-12,27H,3-10H2,1-2H3;3*1,4-8H,2-3H3;3*3-5H,1-2H3;3*3-4H,1-2H3;;;/q;;;;;;;;;3*-1
• InChIKey: LCWAXLIDQKBYJF-UHFFFAOYSA-N
• XLogP: 44.76
• TPSA: 149.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 16
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2785.96
LogP ≤ 5	44.76
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]oxynaphthalen-1-yl]naphthalen-2-ol;tris((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum);tris(2,5-dimethylpyrrol-1-ide);3-methyl-1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-methyl-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol?

The IUPAC name of 3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]naphthalen-2-ol;tris((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum);tris(2,5-dimethylpyrrol-1-ide);3-methyl-1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-methyl-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol (CID 162012869) is 3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]naphthalen-2-ol;tris((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum);tris(2,5-dimethylpyrrol-1-ide);3-methyl-1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-methyl-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol.

What is the SMILES notation for 3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]naphthalen-2-ol;tris((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum);tris(2,5-dimethylpyrrol-1-ide);3-methyl-1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-methyl-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol?

The canonical SMILES for 3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]naphthalen-2-ol;tris((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum);tris(2,5-dimethylpyrrol-1-ide);3-methyl-1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-methyl-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol is CC(C)(C)[Si](C)(C)Oc1c(Br)cc2ccccc2c1-c1c(O)c(Br)cc2ccccc12.Cc1cc(C)c(-c2cc3c(c(-c4c(O)c(-c5c(C)cc(C)cc5C)cc5c4CCCC5)c2C)CCCC3)c(C)c1.Cc1cc2c(c(-c3c(C)c(C(F)(F)F)cc4c3CCCC4)c1O)CCCC2.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1cccc(C)c1N=[Mo]=CC(C)(C)c1ccccc1.Cc1cccc(C)c1N=[Mo]=CC(C)(C)c1ccccc1.Cc1cccc(C)c1N=[Mo]=CC(C)(C)c1ccccc1.

What is the InChIKey of 3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]naphthalen-2-ol;tris((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum);tris(2,5-dimethylpyrrol-1-ide);3-methyl-1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-methyl-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol?

The InChIKey is LCWAXLIDQKBYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H44O.C26H26Br2O2Si.C23H25F3O.3C10H12.3C8H9N.3C6H8N.3Mo/c1-22-16-24(3)35(25(4)17-22)33-20-29-12-8-10-14-31(29)37(28(33)7)38-32-15-11-9-13-30(32)21-34(39(38)40)36-26(5)18-23(2)19-27(36)6;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;1-13-11-15-7-3-6-10-18(15)21(22(13)27)20-14(2)19(23(24,25)26)12-16-8-4-5-9-17(16)20;3*1-10(2,3)9-7-5-4-6-8-9;3*1-6-4-3-5-7(2)8(6)9;3*1-5-3-4-6(2)7-5;;;/h16-21,40H,8-15H2,1-7H3;6-15,29H,1-5H3;11-12,27H,3-10H2,1-2H3;3*1,4-8H,2-3H3;3*3-5H,1-2H3;3*3-4H,1-2H3;;;/q;;;;;;;;;3*-1;;;.

What are the key properties of 3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]naphthalen-2-ol;tris((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum);tris(2,5-dimethylpyrrol-1-ide);3-methyl-1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-methyl-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol?

3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]naphthalen-2-ol;tris((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum);tris(2,5-dimethylpyrrol-1-ide);3-methyl-1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-methyl-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 2785.96 g/mol, XLogP of 44.76, 16 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]oxynaphthalen-1-yl]naphthalen-2-ol;tris((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum);tris(2,5-dimethylpyrrol-1-ide);3-methyl-1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-methyl-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 162012869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).