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

C111H145F6MoN5O4W2-2 — CID 158996686

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

(2R)-2,5-dimethyl-2,3-dihydropyrrol-1-ide;2,5-dimethylpyrrol-1-ide;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);8-(8-methylnaphthalen-1-yl)naphthalen-1-ol;2-methylpropan-2-ol;bis(1,1,1-trifluoro-2-methylpropan-2-ol) (PubChem CID 158996686) has the molecular formula C111H145F6MoN5O4W2-2 and a molecular weight of 2191.02 g/mol. Its IUPAC name is (2R)-2,5-dimethyl-2,3-dihydropyrrol-1-ide;2,5-dimethylpyrrol-1-ide;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);8-(8-methylnaphthalen-1-yl)naphthalen-1-ol;2-methylpropan-2-ol;bis(1,1,1-trifluoro-2-methylpropan-2-ol).

Molecular Properties

• Compound Name: (2R)-2,5-dimethyl-2,3-dihydropyrrol-1-ide;2,5-dimethylpyrrol-1-ide;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);8-(8-methylnaphthalen-1-yl)naphthalen-1-ol;2-methylpropan-2-ol;bis(1,1,1-trifluoro-2-methylpropan-2-ol)
• PubChem CID: 158996686
• Molecular Formula: C111H145F6MoN5O4W2-2
• Molecular Weight: 2191.02 g/mol
• Exact Mass: 2191.93
• IUPAC Name: (2R)-2,5-dimethyl-2,3-dihydropyrrol-1-ide;2,5-dimethylpyrrol-1-ide;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);8-(8-methylnaphthalen-1-yl)naphthalen-1-ol;2-methylpropan-2-ol;bis(1,1,1-trifluoro-2-methylpropan-2-ol)
• SMILES: CC(C)(C)O.CC(C)(O)C(F)(F)F.CC(C)(O)C(F)(F)F.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(C)c1cccc(C(C)C)c1N=[W]=CC(C)(C)c1ccccc1.CC1=CC[C@@H](C)[N-]1.Cc1ccc(C)[n-]1.Cc1cccc2cccc(-c3cccc4cccc(O)c34)c12
• InChI: InChI=1S/C21H16O.3C12H17N.3C10H12.C6H10N.C6H8N.2C4H7F3O.C4H10O.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;3*1-8(2)10-6-5-7-11(9(3)4)12(10)13;3*1-10(2,3)9-7-5-4-6-8-9;2*1-5-3-4-6(2)7-5;2*1-3(2,8)4(5,6)7;1-4(2,3)5;;;/h2-13,22H,1H3;3*5-9H,1-4H3;3*1,4-8H,2-3H3;3,6H,4H2,1-2H3;3-4H,1-2H3;2*8H,1-2H3;5H,1-3H3;;;/q;;;;;;;2*-1;;;;;;/t;;;;;;;6-;;;;;;;/m.......1......./s1
• InChIKey: GKMVOCDEDYKSSI-VSCTUMSXSA-N
• XLogP: 32.24
• TPSA: 146.20 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 16
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2191.02
LogP ≤ 5	32.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (2R)-2,5-dimethyl-2,3-dihydropyrrol-1-ide;2,5-dimethylpyrrol-1-ide;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);8-(8-methylnaphthalen-1-yl)naphthalen-1-ol;2-methylpropan-2-ol;bis(1,1,1-trifluoro-2-methylpropan-2-ol) (CID 158996686) is (2R)-2,5-dimethyl-2,3-dihydropyrrol-1-ide;2,5-dimethylpyrrol-1-ide;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);8-(8-methylnaphthalen-1-yl)naphthalen-1-ol;2-methylpropan-2-ol;bis(1,1,1-trifluoro-2-methylpropan-2-ol).

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

The canonical SMILES for (2R)-2,5-dimethyl-2,3-dihydropyrrol-1-ide;2,5-dimethylpyrrol-1-ide;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);8-(8-methylnaphthalen-1-yl)naphthalen-1-ol;2-methylpropan-2-ol;bis(1,1,1-trifluoro-2-methylpropan-2-ol) is CC(C)(C)O.CC(C)(O)C(F)(F)F.CC(C)(O)C(F)(F)F.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(C)c1cccc(C(C)C)c1N=[W]=CC(C)(C)c1ccccc1.CC1=CC[C@@H](C)[N-]1.Cc1ccc(C)[n-]1.Cc1cccc2cccc(-c3cccc4cccc(O)c34)c12.

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

The InChIKey is GKMVOCDEDYKSSI-VSCTUMSXSA-N. The full InChI is InChI=1S/C21H16O.3C12H17N.3C10H12.C6H10N.C6H8N.2C4H7F3O.C4H10O.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;3*1-8(2)10-6-5-7-11(9(3)4)12(10)13;3*1-10(2,3)9-7-5-4-6-8-9;2*1-5-3-4-6(2)7-5;2*1-3(2,8)4(5,6)7;1-4(2,3)5;;;/h2-13,22H,1H3;3*5-9H,1-4H3;3*1,4-8H,2-3H3;3,6H,4H2,1-2H3;3-4H,1-2H3;2*8H,1-2H3;5H,1-3H3;;;/q;;;;;;;2*-1;;;;;;/t;;;;;;;6-;;;;;;;/m.......1......./s1.

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

(2R)-2,5-dimethyl-2,3-dihydropyrrol-1-ide;2,5-dimethylpyrrol-1-ide;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);8-(8-methylnaphthalen-1-yl)naphthalen-1-ol;2-methylpropan-2-ol;bis(1,1,1-trifluoro-2-methylpropan-2-ol) has a molecular weight of 2191.02 g/mol, XLogP of 32.24, 16 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2,5-dimethyl-2,3-dihydropyrrol-1-ide;2,5-dimethylpyrrol-1-ide;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);8-(8-methylnaphthalen-1-yl)naphthalen-1-ol;2-methylpropan-2-ol;bis(1,1,1-trifluoro-2-methylpropan-2-ol) is sourced from PubChem (CID 158996686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).