4-bromo-2-(4-bromophenyl)-6-(4-methylphenyl)-3,5-diphenylphenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tetrakis(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;methane;bis(9-phenylfluoren-9-ol);1,1,1-trifluoro-2-phenylpropan-2-ol

C175H211Br2Cl2F3Mo3N8O4W-4 — CID 157422694

About 4-bromo-2-(4-bromophenyl)-6-(4-methylphenyl)-3,5-diphenylphenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tetrakis(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;methane;bis(9-phenylfluoren-9-ol);1,1,1-trifluoro-2-phenylpropan-2-ol

4-bromo-2-(4-bromophenyl)-6-(4-methylphenyl)-3,5-diphenylphenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tetrakis(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;methane;bis(9-phenylfluoren-9-ol);1,1,1-trifluoro-2-phenylpropan-2-ol (PubChem CID 157422694) has the molecular formula C175H211Br2Cl2F3Mo3N8O4W-4 and a molecular weight of 3250.03 g/mol. Its IUPAC name is 4-bromo-2-(4-bromophenyl)-6-(4-methylphenyl)-3,5-diphenylphenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tetrakis(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;methane;bis(9-phenylfluoren-9-ol);1,1,1-trifluoro-2-phenylpropan-2-ol.

Molecular Properties

• Compound Name: 4-bromo-2-(4-bromophenyl)-6-(4-methylphenyl)-3,5-diphenylphenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tetrakis(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;methane;bis(9-phenylfluoren-9-ol);1,1,1-trifluoro-2-phenylpropan-2-ol
• PubChem CID: 157422694
• Molecular Formula: C175H211Br2Cl2F3Mo3N8O4W-4
• Molecular Weight: 3250.03 g/mol
• Exact Mass: 3251.09
• IUPAC Name: 4-bromo-2-(4-bromophenyl)-6-(4-methylphenyl)-3,5-diphenylphenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tetrakis(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;methane;bis(9-phenylfluoren-9-ol);1,1,1-trifluoro-2-phenylpropan-2-ol
• SMILES: C.C.C.C.C.C.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.CC(O)(c1ccccc1)C(F)(F)F.Cc1ccc(-c2c(O)c(-c3ccc(Br)cc3)c(-c3ccccc3)c(Br)c2-c2ccccc2)cc1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.OC1(c2ccccc2)c2ccccc2-c2ccccc21.OC1(c2ccccc2)c2ccccc2-c2ccccc21
• InChI: InChI=1S/C31H22Br2O.2C19H14O.3C12H17N.C10H12.C9H9F3O.C6H3Cl2N.4C6H8N.3C5H10.6CH4.3Mo.W/c1-20-12-14-23(15-13-20)28-26(21-8-4-2-5-9-21)30(33)27(22-10-6-3-7-11-22)29(31(28)34)24-16-18-25(32)19-17-24;2*20-19(14-8-2-1-3-9-14)17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;3*1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-10(2,3)9-7-5-4-6-8-9;1-8(13,9(10,11)12)7-5-3-2-4-6-7;7-4-2-1-3-5(8)6(4)9;4*1-5-3-4-6(2)7-5;3*1-5(2,3)4;;;;;;;;;;/h2-19,34H,1H3;2*1-13,20H;3*5-9H,1-4H3;1,4-8H,2-3H3;2-6,13H,1H3;1-3H;4*3-4H,1-2H3;3*1H,2-4H3;6*1H4;;;;/q;;;;;;;;;4*-1
• InChIKey: QNKHIBMJDKJISC-UHFFFAOYSA-N
• XLogP: 51.82
• TPSA: 186.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 19
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3250.03
LogP ≤ 5	51.82
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(4-bromophenyl)-6-(4-methylphenyl)-3,5-diphenylphenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tetrakis(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;methane;bis(9-phenylfluoren-9-ol);1,1,1-trifluoro-2-phenylpropan-2-ol?

The IUPAC name of 4-bromo-2-(4-bromophenyl)-6-(4-methylphenyl)-3,5-diphenylphenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tetrakis(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;methane;bis(9-phenylfluoren-9-ol);1,1,1-trifluoro-2-phenylpropan-2-ol (CID 157422694) is 4-bromo-2-(4-bromophenyl)-6-(4-methylphenyl)-3,5-diphenylphenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tetrakis(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;methane;bis(9-phenylfluoren-9-ol);1,1,1-trifluoro-2-phenylpropan-2-ol.

What is the SMILES notation for 4-bromo-2-(4-bromophenyl)-6-(4-methylphenyl)-3,5-diphenylphenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tetrakis(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;methane;bis(9-phenylfluoren-9-ol);1,1,1-trifluoro-2-phenylpropan-2-ol?

The canonical SMILES for 4-bromo-2-(4-bromophenyl)-6-(4-methylphenyl)-3,5-diphenylphenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tetrakis(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;methane;bis(9-phenylfluoren-9-ol);1,1,1-trifluoro-2-phenylpropan-2-ol is C.C.C.C.C.C.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.CC(O)(c1ccccc1)C(F)(F)F.Cc1ccc(-c2c(O)c(-c3ccc(Br)cc3)c(-c3ccccc3)c(Br)c2-c2ccccc2)cc1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.OC1(c2ccccc2)c2ccccc2-c2ccccc21.OC1(c2ccccc2)c2ccccc2-c2ccccc21.

What is the InChIKey of 4-bromo-2-(4-bromophenyl)-6-(4-methylphenyl)-3,5-diphenylphenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tetrakis(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;methane;bis(9-phenylfluoren-9-ol);1,1,1-trifluoro-2-phenylpropan-2-ol?

The InChIKey is QNKHIBMJDKJISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22Br2O.2C19H14O.3C12H17N.C10H12.C9H9F3O.C6H3Cl2N.4C6H8N.3C5H10.6CH4.3Mo.W/c1-20-12-14-23(15-13-20)28-26(21-8-4-2-5-9-21)30(33)27(22-10-6-3-7-11-22)29(31(28)34)24-16-18-25(32)19-17-24;2*20-19(14-8-2-1-3-9-14)17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;3*1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-10(2,3)9-7-5-4-6-8-9;1-8(13,9(10,11)12)7-5-3-2-4-6-7;7-4-2-1-3-5(8)6(4)9;4*1-5-3-4-6(2)7-5;3*1-5(2,3)4;;;;;;;;;;/h2-19,34H,1H3;2*1-13,20H;3*5-9H,1-4H3;1,4-8H,2-3H3;2-6,13H,1H3;1-3H;4*3-4H,1-2H3;3*1H,2-4H3;6*1H4;;;;/q;;;;;;;;;4*-1;;;;;;;;;;;;;.

What are the key properties of 4-bromo-2-(4-bromophenyl)-6-(4-methylphenyl)-3,5-diphenylphenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tetrakis(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;methane;bis(9-phenylfluoren-9-ol);1,1,1-trifluoro-2-phenylpropan-2-ol?

4-bromo-2-(4-bromophenyl)-6-(4-methylphenyl)-3,5-diphenylphenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tetrakis(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;methane;bis(9-phenylfluoren-9-ol);1,1,1-trifluoro-2-phenylpropan-2-ol has a molecular weight of 3250.03 g/mol, XLogP of 51.82, 19 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-2-(4-bromophenyl)-6-(4-methylphenyl)-3,5-diphenylphenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tetrakis(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;methane;bis(9-phenylfluoren-9-ol);1,1,1-trifluoro-2-phenylpropan-2-ol is sourced from PubChem (CID 157422694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).