(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;2,5-dimethyl-2,3-dihydropyrrol-1-ide;bis(2,5-dimethylpyrrol-1-ide);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2-methanidylpropan-2-ylbenzene;8-(8-methylnaphthalen-1-yl)naphthalen-1-ol;2-methylpropan-2-ol;2,3,5,6-tetraphenylphenol;bis(1,1,1-trifluoro-2-methylpropan-2-ol)

C163H191Cl2F6MoN7O5W3-4 — CID 159521066

About (2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;2,5-dimethyl-2,3-dihydropyrrol-1-ide;bis(2,5-dimethylpyrrol-1-ide);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2-methanidylpropan-2-ylbenzene;8-(8-methylnaphthalen-1-yl)naphthalen-1-ol;2-methylpropan-2-ol;2,3,5,6-tetraphenylphenol;bis(1,1,1-trifluoro-2-methylpropan-2-ol)

(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;2,5-dimethyl-2,3-dihydropyrrol-1-ide;bis(2,5-dimethylpyrrol-1-ide);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2-methanidylpropan-2-ylbenzene;8-(8-methylnaphthalen-1-yl)naphthalen-1-ol;2-methylpropan-2-ol;2,3,5,6-tetraphenylphenol;bis(1,1,1-trifluoro-2-methylpropan-2-ol) (PubChem CID 159521066) has the molecular formula C163H191Cl2F6MoN7O5W3-4 and a molecular weight of 3160.72 g/mol. Its IUPAC name is (2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;2,5-dimethyl-2,3-dihydropyrrol-1-ide;bis(2,5-dimethylpyrrol-1-ide);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2-methanidylpropan-2-ylbenzene;8-(8-methylnaphthalen-1-yl)naphthalen-1-ol;2-methylpropan-2-ol;2,3,5,6-tetraphenylphenol;bis(1,1,1-trifluoro-2-methylpropan-2-ol).

Molecular Properties

• Compound Name: (2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;2,5-dimethyl-2,3-dihydropyrrol-1-ide;bis(2,5-dimethylpyrrol-1-ide);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2-methanidylpropan-2-ylbenzene;8-(8-methylnaphthalen-1-yl)naphthalen-1-ol;2-methylpropan-2-ol;2,3,5,6-tetraphenylphenol;bis(1,1,1-trifluoro-2-methylpropan-2-ol)
• PubChem CID: 159521066
• Molecular Formula: C163H191Cl2F6MoN7O5W3-4
• Molecular Weight: 3160.72 g/mol
• Exact Mass: 3160.18
• IUPAC Name: (2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;2,5-dimethyl-2,3-dihydropyrrol-1-ide;bis(2,5-dimethylpyrrol-1-ide);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2-methanidylpropan-2-ylbenzene;8-(8-methylnaphthalen-1-yl)naphthalen-1-ol;2-methylpropan-2-ol;2,3,5,6-tetraphenylphenol;bis(1,1,1-trifluoro-2-methylpropan-2-ol)
• SMILES: CC(C)(C)O.CC(C)(C=[W]=Nc1c(Cl)cccc1Cl)c1ccccc1.CC(C)(O)C(F)(F)F.CC(C)(O)C(F)(F)F.CC(C)c1cccc(C(C)C)c1N=[Mo].CC(C)c1cccc(C(C)C)c1N=[W]=CC(C)(C)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[W]=CC(C)(C)c1ccccc1.CC1=CCC(C)[N-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1cccc2cccc(-c3cccc4cccc(O)c34)c12.Oc1c(-c2ccccc2)c(-c2ccccc2)cc(-c2ccccc2)c1-c1ccccc1.[CH2-]C(C)(C)c1ccccc1
• InChI: InChI=1S/C30H22O.C21H16O.3C12H17N.C10H13.3C10H12.C6H3Cl2N.C6H10N.2C6H8N.2C4H7F3O.C4H10O.Mo.3W/c31-30-28(24-17-9-3-10-18-24)26(22-13-5-1-6-14-22)21-27(23-15-7-2-8-16-23)29(30)25-19-11-4-12-20-25;1-14-6-2-7-15-8-3-11-17(20(14)15)18-12-4-9-16-10-5-13-19(22)21(16)18;3*1-8(2)10-6-5-7-11(9(3)4)12(10)13;4*1-10(2,3)9-7-5-4-6-8-9;7-4-2-1-3-5(8)6(4)9;3*1-5-3-4-6(2)7-5;2*1-3(2,8)4(5,6)7;1-4(2,3)5;;;;/h1-21,31H;2-13,22H,1H3;3*5-9H,1-4H3;4-8H,1H2,2-3H3;3*1,4-8H,2-3H3;1-3H;3,6H,4H2,1-2H3;2*3-4H,1-2H3;2*8H,1-2H3;5H,1-3H3;;;;/q;;;;;-1;;;;;3*-1
• InChIKey: DODUUKJKZBWPFJ-UHFFFAOYSA-N
• XLogP: 47.71
• TPSA: 192.89 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 22
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3160.72
LogP ≤ 5	47.71
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;2,5-dimethyl-2,3-dihydropyrrol-1-ide;bis(2,5-dimethylpyrrol-1-ide);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2-methanidylpropan-2-ylbenzene;8-(8-methylnaphthalen-1-yl)naphthalen-1-ol;2-methylpropan-2-ol;2,3,5,6-tetraphenylphenol;bis(1,1,1-trifluoro-2-methylpropan-2-ol)?

The IUPAC name of (2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;2,5-dimethyl-2,3-dihydropyrrol-1-ide;bis(2,5-dimethylpyrrol-1-ide);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2-methanidylpropan-2-ylbenzene;8-(8-methylnaphthalen-1-yl)naphthalen-1-ol;2-methylpropan-2-ol;2,3,5,6-tetraphenylphenol;bis(1,1,1-trifluoro-2-methylpropan-2-ol) (CID 159521066) is (2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;2,5-dimethyl-2,3-dihydropyrrol-1-ide;bis(2,5-dimethylpyrrol-1-ide);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2-methanidylpropan-2-ylbenzene;8-(8-methylnaphthalen-1-yl)naphthalen-1-ol;2-methylpropan-2-ol;2,3,5,6-tetraphenylphenol;bis(1,1,1-trifluoro-2-methylpropan-2-ol).

What is the SMILES notation for (2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;2,5-dimethyl-2,3-dihydropyrrol-1-ide;bis(2,5-dimethylpyrrol-1-ide);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2-methanidylpropan-2-ylbenzene;8-(8-methylnaphthalen-1-yl)naphthalen-1-ol;2-methylpropan-2-ol;2,3,5,6-tetraphenylphenol;bis(1,1,1-trifluoro-2-methylpropan-2-ol)?

The canonical SMILES for (2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;2,5-dimethyl-2,3-dihydropyrrol-1-ide;bis(2,5-dimethylpyrrol-1-ide);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2-methanidylpropan-2-ylbenzene;8-(8-methylnaphthalen-1-yl)naphthalen-1-ol;2-methylpropan-2-ol;2,3,5,6-tetraphenylphenol;bis(1,1,1-trifluoro-2-methylpropan-2-ol) is CC(C)(C)O.CC(C)(C=[W]=Nc1c(Cl)cccc1Cl)c1ccccc1.CC(C)(O)C(F)(F)F.CC(C)(O)C(F)(F)F.CC(C)c1cccc(C(C)C)c1N=[Mo].CC(C)c1cccc(C(C)C)c1N=[W]=CC(C)(C)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[W]=CC(C)(C)c1ccccc1.CC1=CCC(C)[N-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1cccc2cccc(-c3cccc4cccc(O)c34)c12.Oc1c(-c2ccccc2)c(-c2ccccc2)cc(-c2ccccc2)c1-c1ccccc1.[CH2-]C(C)(C)c1ccccc1.

What is the InChIKey of (2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;2,5-dimethyl-2,3-dihydropyrrol-1-ide;bis(2,5-dimethylpyrrol-1-ide);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2-methanidylpropan-2-ylbenzene;8-(8-methylnaphthalen-1-yl)naphthalen-1-ol;2-methylpropan-2-ol;2,3,5,6-tetraphenylphenol;bis(1,1,1-trifluoro-2-methylpropan-2-ol)?

The InChIKey is DODUUKJKZBWPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22O.C21H16O.3C12H17N.C10H13.3C10H12.C6H3Cl2N.C6H10N.2C6H8N.2C4H7F3O.C4H10O.Mo.3W/c31-30-28(24-17-9-3-10-18-24)26(22-13-5-1-6-14-22)21-27(23-15-7-2-8-16-23)29(30)25-19-11-4-12-20-25;1-14-6-2-7-15-8-3-11-17(20(14)15)18-12-4-9-16-10-5-13-19(22)21(16)18;3*1-8(2)10-6-5-7-11(9(3)4)12(10)13;4*1-10(2,3)9-7-5-4-6-8-9;7-4-2-1-3-5(8)6(4)9;3*1-5-3-4-6(2)7-5;2*1-3(2,8)4(5,6)7;1-4(2,3)5;;;;/h1-21,31H;2-13,22H,1H3;3*5-9H,1-4H3;4-8H,1H2,2-3H3;3*1,4-8H,2-3H3;1-3H;3,6H,4H2,1-2H3;2*3-4H,1-2H3;2*8H,1-2H3;5H,1-3H3;;;;/q;;;;;-1;;;;;3*-1;;;;;;;.

What are the key properties of (2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;2,5-dimethyl-2,3-dihydropyrrol-1-ide;bis(2,5-dimethylpyrrol-1-ide);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2-methanidylpropan-2-ylbenzene;8-(8-methylnaphthalen-1-yl)naphthalen-1-ol;2-methylpropan-2-ol;2,3,5,6-tetraphenylphenol;bis(1,1,1-trifluoro-2-methylpropan-2-ol)?

(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;2,5-dimethyl-2,3-dihydropyrrol-1-ide;bis(2,5-dimethylpyrrol-1-ide);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2-methanidylpropan-2-ylbenzene;8-(8-methylnaphthalen-1-yl)naphthalen-1-ol;2-methylpropan-2-ol;2,3,5,6-tetraphenylphenol;bis(1,1,1-trifluoro-2-methylpropan-2-ol) has a molecular weight of 3160.72 g/mol, XLogP of 47.71, 22 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;2,5-dimethyl-2,3-dihydropyrrol-1-ide;bis(2,5-dimethylpyrrol-1-ide);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2-methanidylpropan-2-ylbenzene;8-(8-methylnaphthalen-1-yl)naphthalen-1-ol;2-methylpropan-2-ol;2,3,5,6-tetraphenylphenol;bis(1,1,1-trifluoro-2-methylpropan-2-ol) is sourced from PubChem (CID 159521066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).