(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;8-(8-methylnaphthalen-1-yl)naphthalen-1-ol;2,3,4,5,6-pentafluorophenol

C128H128Cl2F11MoN4O5W2- — CID 157458416

About (2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;8-(8-methylnaphthalen-1-yl)naphthalen-1-ol;2,3,4,5,6-pentafluorophenol

(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;8-(8-methylnaphthalen-1-yl)naphthalen-1-ol;2,3,4,5,6-pentafluorophenol (PubChem CID 157458416) has the molecular formula C128H128Cl2F11MoN4O5W2- and a molecular weight of 2545.96 g/mol. Its IUPAC name is (2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;8-(8-methylnaphthalen-1-yl)naphthalen-1-ol;2,3,4,5,6-pentafluorophenol.

Molecular Properties

• Compound Name: (2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;8-(8-methylnaphthalen-1-yl)naphthalen-1-ol;2,3,4,5,6-pentafluorophenol
• PubChem CID: 157458416
• Molecular Formula: C128H128Cl2F11MoN4O5W2-
• Molecular Weight: 2545.96 g/mol
• Exact Mass: 2545.72
• IUPAC Name: (2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;8-(8-methylnaphthalen-1-yl)naphthalen-1-ol;2,3,4,5,6-pentafluorophenol
• SMILES: CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[W]=CC(C)(C)c1ccccc1.CC(O)(C(F)(F)F)C(F)(F)F.Cc1ccc(C)[n-]1.Cc1cccc2cccc(-c3cccc4cccc(O)c34)c12.Oc1c(-c2ccccc2)cccc1-c1ccccc1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.Oc1c(F)c(F)c(F)c(F)c1F
• InChI: InChI=1S/C21H16O.2C18H14O.2C12H17N.2C10H12.C6H3Cl2N.C6HF5O.C6H8N.C5H10.C4H4F6O.Mo.2W/c1-14-6-2-7-15-8-3-11-17(20(14)15)18-12-4-9-16-10-5-13-19(22)21(16)18;2*19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;2*1-8(2)10-6-5-7-11(9(3)4)12(10)13;2*1-10(2,3)9-7-5-4-6-8-9;7-4-2-1-3-5(8)6(4)9;7-1-2(8)4(10)6(12)5(11)3(1)9;1-5-3-4-6(2)7-5;1-5(2,3)4;1-2(11,3(5,6)7)4(8,9)10;;;/h2-13,22H,1H3;2*1-13,19H;2*5-9H,1-4H3;2*1,4-8H,2-3H3;1-3H;12H;3-4H,1-2H3;1H,2-4H3;11H,1H3;;;/q;;;;;;;;;-1
• InChIKey: APUIUYIFWDINMI-UHFFFAOYSA-N
• XLogP: 38.30
• TPSA: 152.33 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2545.96
LogP ≤ 5	38.30
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;8-(8-methylnaphthalen-1-yl)naphthalen-1-ol;2,3,4,5,6-pentafluorophenol?

The IUPAC name of (2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;8-(8-methylnaphthalen-1-yl)naphthalen-1-ol;2,3,4,5,6-pentafluorophenol (CID 157458416) is (2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;8-(8-methylnaphthalen-1-yl)naphthalen-1-ol;2,3,4,5,6-pentafluorophenol.

What is the SMILES notation for (2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;8-(8-methylnaphthalen-1-yl)naphthalen-1-ol;2,3,4,5,6-pentafluorophenol?

The canonical SMILES for (2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;8-(8-methylnaphthalen-1-yl)naphthalen-1-ol;2,3,4,5,6-pentafluorophenol is CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[W]=CC(C)(C)c1ccccc1.CC(O)(C(F)(F)F)C(F)(F)F.Cc1ccc(C)[n-]1.Cc1cccc2cccc(-c3cccc4cccc(O)c34)c12.Oc1c(-c2ccccc2)cccc1-c1ccccc1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.Oc1c(F)c(F)c(F)c(F)c1F.

What is the InChIKey of (2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;8-(8-methylnaphthalen-1-yl)naphthalen-1-ol;2,3,4,5,6-pentafluorophenol?

The InChIKey is APUIUYIFWDINMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O.2C18H14O.2C12H17N.2C10H12.C6H3Cl2N.C6HF5O.C6H8N.C5H10.C4H4F6O.Mo.2W/c1-14-6-2-7-15-8-3-11-17(20(14)15)18-12-4-9-16-10-5-13-19(22)21(16)18;2*19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;2*1-8(2)10-6-5-7-11(9(3)4)12(10)13;2*1-10(2,3)9-7-5-4-6-8-9;7-4-2-1-3-5(8)6(4)9;7-1-2(8)4(10)6(12)5(11)3(1)9;1-5-3-4-6(2)7-5;1-5(2,3)4;1-2(11,3(5,6)7)4(8,9)10;;;/h2-13,22H,1H3;2*1-13,19H;2*5-9H,1-4H3;2*1,4-8H,2-3H3;1-3H;12H;3-4H,1-2H3;1H,2-4H3;11H,1H3;;;/q;;;;;;;;;-1;;;;;.

What are the key properties of (2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;8-(8-methylnaphthalen-1-yl)naphthalen-1-ol;2,3,4,5,6-pentafluorophenol?

(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;8-(8-methylnaphthalen-1-yl)naphthalen-1-ol;2,3,4,5,6-pentafluorophenol has a molecular weight of 2545.96 g/mol, XLogP of 38.30, 16 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;8-(8-methylnaphthalen-1-yl)naphthalen-1-ol;2,3,4,5,6-pentafluorophenol is sourced from PubChem (CID 157458416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).