3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;bis((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(2,5-dimethylpyrrol-1-ide);4-fluoro-2,6-diphenylphenol;pyrrol-1-ide;2,4,6-triphenylphenol

C126H128Br2Cl2FMo3N6O3-3 — CID 159462400

About 3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;bis((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(2,5-dimethylpyrrol-1-ide);4-fluoro-2,6-diphenylphenol;pyrrol-1-ide;2,4,6-triphenylphenol

3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;bis((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(2,5-dimethylpyrrol-1-ide);4-fluoro-2,6-diphenylphenol;pyrrol-1-ide;2,4,6-triphenylphenol (PubChem CID 159462400) has the molecular formula C126H128Br2Cl2FMo3N6O3-3 and a molecular weight of 2311.98 g/mol. Its IUPAC name is 3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;bis((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(2,5-dimethylpyrrol-1-ide);4-fluoro-2,6-diphenylphenol;pyrrol-1-ide;2,4,6-triphenylphenol.

Molecular Properties

• Compound Name: 3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;bis((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(2,5-dimethylpyrrol-1-ide);4-fluoro-2,6-diphenylphenol;pyrrol-1-ide;2,4,6-triphenylphenol
• PubChem CID: 159462400
• Molecular Formula: C126H128Br2Cl2FMo3N6O3-3
• Molecular Weight: 2311.98 g/mol
• Exact Mass: 2313.50
• IUPAC Name: 3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;bis((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(2,5-dimethylpyrrol-1-ide);4-fluoro-2,6-diphenylphenol;pyrrol-1-ide;2,4,6-triphenylphenol
• SMILES: CC(C)(C)C=[Mo]=Nc1c(Cl)cccc1Cl.Cc1c(Br)cc2c(c1-c1c(O)c(Br)cc3c1CCCC3)CCCC2.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1cccc(C)c1N=[Mo]=CC(C)(C)c1ccccc1.Cc1cccc(C)c1N=[Mo]=CC(C)(C)c1ccccc1.Oc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.Oc1c(-c2ccccc2)cc(F)cc1-c1ccccc1.c1cc[n-]c1
• InChI: InChI=1S/C24H18O.C21H22Br2O.C18H13FO.2C10H12.2C8H9N.C6H3Cl2N.2C6H8N.C5H10.C4H4N.3Mo/c25-24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20;1-12-17(22)10-13-6-2-4-8-15(13)19(12)20-16-9-5-3-7-14(16)11-18(23)21(20)24;19-15-11-16(13-7-3-1-4-8-13)18(20)17(12-15)14-9-5-2-6-10-14;2*1-10(2,3)9-7-5-4-6-8-9;2*1-6-4-3-5-7(2)8(6)9;7-4-2-1-3-5(8)6(4)9;2*1-5-3-4-6(2)7-5;1-5(2,3)4;1-2-4-5-3-1;;;/h1-17,25H;10-11,24H,2-9H2,1H3;1-12,20H;2*1,4-8H,2-3H3;2*3-5H,1-2H3;1-3H;2*3-4H,1-2H3;1H,2-4H3;1-4H;;;/q;;;;;;;;2*-1;;-1
• InChIKey: XFRJGDJMAHNIFN-UHFFFAOYSA-N
• XLogP: 35.78
• TPSA: 140.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2311.98
LogP ≤ 5	35.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;bis((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(2,5-dimethylpyrrol-1-ide);4-fluoro-2,6-diphenylphenol;pyrrol-1-ide;2,4,6-triphenylphenol?

The IUPAC name of 3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;bis((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(2,5-dimethylpyrrol-1-ide);4-fluoro-2,6-diphenylphenol;pyrrol-1-ide;2,4,6-triphenylphenol (CID 159462400) is 3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;bis((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(2,5-dimethylpyrrol-1-ide);4-fluoro-2,6-diphenylphenol;pyrrol-1-ide;2,4,6-triphenylphenol.

What is the SMILES notation for 3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;bis((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(2,5-dimethylpyrrol-1-ide);4-fluoro-2,6-diphenylphenol;pyrrol-1-ide;2,4,6-triphenylphenol?

The canonical SMILES for 3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;bis((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(2,5-dimethylpyrrol-1-ide);4-fluoro-2,6-diphenylphenol;pyrrol-1-ide;2,4,6-triphenylphenol is CC(C)(C)C=[Mo]=Nc1c(Cl)cccc1Cl.Cc1c(Br)cc2c(c1-c1c(O)c(Br)cc3c1CCCC3)CCCC2.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1cccc(C)c1N=[Mo]=CC(C)(C)c1ccccc1.Cc1cccc(C)c1N=[Mo]=CC(C)(C)c1ccccc1.Oc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.Oc1c(-c2ccccc2)cc(F)cc1-c1ccccc1.c1cc[n-]c1.

What is the InChIKey of 3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;bis((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(2,5-dimethylpyrrol-1-ide);4-fluoro-2,6-diphenylphenol;pyrrol-1-ide;2,4,6-triphenylphenol?

The InChIKey is XFRJGDJMAHNIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O.C21H22Br2O.C18H13FO.2C10H12.2C8H9N.C6H3Cl2N.2C6H8N.C5H10.C4H4N.3Mo/c25-24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20;1-12-17(22)10-13-6-2-4-8-15(13)19(12)20-16-9-5-3-7-14(16)11-18(23)21(20)24;19-15-11-16(13-7-3-1-4-8-13)18(20)17(12-15)14-9-5-2-6-10-14;2*1-10(2,3)9-7-5-4-6-8-9;2*1-6-4-3-5-7(2)8(6)9;7-4-2-1-3-5(8)6(4)9;2*1-5-3-4-6(2)7-5;1-5(2,3)4;1-2-4-5-3-1;;;/h1-17,25H;10-11,24H,2-9H2,1H3;1-12,20H;2*1,4-8H,2-3H3;2*3-5H,1-2H3;1-3H;2*3-4H,1-2H3;1H,2-4H3;1-4H;;;/q;;;;;;;;2*-1;;-1;;;.

What are the key properties of 3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;bis((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(2,5-dimethylpyrrol-1-ide);4-fluoro-2,6-diphenylphenol;pyrrol-1-ide;2,4,6-triphenylphenol?

3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;bis((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(2,5-dimethylpyrrol-1-ide);4-fluoro-2,6-diphenylphenol;pyrrol-1-ide;2,4,6-triphenylphenol has a molecular weight of 2311.98 g/mol, XLogP of 35.78, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;bis((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(2,5-dimethylpyrrol-1-ide);4-fluoro-2,6-diphenylphenol;pyrrol-1-ide;2,4,6-triphenylphenol is sourced from PubChem (CID 159462400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).