1,4-dimethylcyclopenta-1,3-diene;tris((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten);tetrakis(2,5-dimethylpyrrol-1-ide);bis(1,10-phenanthroline);3,3,3-trifluoro-2-methyl-2-phenylpropan-1-ol;bis(1,1,1-trifluoro-2-phenylpropan-2-ol)

C137H150F9N11O3W3-4 — CID 158738721

About 1,4-dimethylcyclopenta-1,3-diene;tris((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten);tetrakis(2,5-dimethylpyrrol-1-ide);bis(1,10-phenanthroline);3,3,3-trifluoro-2-methyl-2-phenylpropan-1-ol;bis(1,1,1-trifluoro-2-phenylpropan-2-ol)

1,4-dimethylcyclopenta-1,3-diene;tris((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten);tetrakis(2,5-dimethylpyrrol-1-ide);bis(1,10-phenanthroline);3,3,3-trifluoro-2-methyl-2-phenylpropan-1-ol;bis(1,1,1-trifluoro-2-phenylpropan-2-ol) (PubChem CID 158738721) has the molecular formula C137H150F9N11O3W3-4 and a molecular weight of 2721.28 g/mol. Its IUPAC name is 1,4-dimethylcyclopenta-1,3-diene;tris((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten);tetrakis(2,5-dimethylpyrrol-1-ide);bis(1,10-phenanthroline);3,3,3-trifluoro-2-methyl-2-phenylpropan-1-ol;bis(1,1,1-trifluoro-2-phenylpropan-2-ol).

Molecular Properties

• Compound Name: 1,4-dimethylcyclopenta-1,3-diene;tris((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten);tetrakis(2,5-dimethylpyrrol-1-ide);bis(1,10-phenanthroline);3,3,3-trifluoro-2-methyl-2-phenylpropan-1-ol;bis(1,1,1-trifluoro-2-phenylpropan-2-ol)
• PubChem CID: 158738721
• Molecular Formula: C137H150F9N11O3W3-4
• Molecular Weight: 2721.28 g/mol
• Exact Mass: 2720.03
• IUPAC Name: 1,4-dimethylcyclopenta-1,3-diene;tris((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten);tetrakis(2,5-dimethylpyrrol-1-ide);bis(1,10-phenanthroline);3,3,3-trifluoro-2-methyl-2-phenylpropan-1-ol;bis(1,1,1-trifluoro-2-phenylpropan-2-ol)
• SMILES: CC(CO)(c1ccccc1)C(F)(F)F.CC(O)(c1ccccc1)C(F)(F)F.CC(O)(c1ccccc1)C(F)(F)F.CC1=CC=C(C)C1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1cccc(C)c1N=[W]=CC(C)(C)c1ccccc1.Cc1cccc(C)c1N=[W]=CC(C)(C)c1ccccc1.Cc1cccc(C)c1N=[W]=CC(C)(C)c1ccccc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
• InChI: InChI=1S/2C12H8N2.C10H11F3O.3C10H12.2C9H9F3O.3C8H9N.C7H10.4C6H8N.3W/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-9(7-14,10(11,12)13)8-5-3-2-4-6-8;3*1-10(2,3)9-7-5-4-6-8-9;2*1-8(13,9(10,11)12)7-5-3-2-4-6-7;3*1-6-4-3-5-7(2)8(6)9;1-6-3-4-7(2)5-6;4*1-5-3-4-6(2)7-5;;;/h2*1-8H;2-6,14H,7H2,1H3;3*1,4-8H,2-3H3;2*2-6,13H,1H3;3*3-5H,1-2H3;3-4H,5H2,1-2H3;4*3-4H,1-2H3;;;/q;;;;;;;;;;;;4*-1
• InChIKey: POGFZSPZAYZVNA-UHFFFAOYSA-N
• XLogP: 35.25
• TPSA: 205.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2721.28
LogP ≤ 5	35.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylcyclopenta-1,3-diene;tris((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten);tetrakis(2,5-dimethylpyrrol-1-ide);bis(1,10-phenanthroline);3,3,3-trifluoro-2-methyl-2-phenylpropan-1-ol;bis(1,1,1-trifluoro-2-phenylpropan-2-ol)?

The IUPAC name of 1,4-dimethylcyclopenta-1,3-diene;tris((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten);tetrakis(2,5-dimethylpyrrol-1-ide);bis(1,10-phenanthroline);3,3,3-trifluoro-2-methyl-2-phenylpropan-1-ol;bis(1,1,1-trifluoro-2-phenylpropan-2-ol) (CID 158738721) is 1,4-dimethylcyclopenta-1,3-diene;tris((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten);tetrakis(2,5-dimethylpyrrol-1-ide);bis(1,10-phenanthroline);3,3,3-trifluoro-2-methyl-2-phenylpropan-1-ol;bis(1,1,1-trifluoro-2-phenylpropan-2-ol).

What is the SMILES notation for 1,4-dimethylcyclopenta-1,3-diene;tris((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten);tetrakis(2,5-dimethylpyrrol-1-ide);bis(1,10-phenanthroline);3,3,3-trifluoro-2-methyl-2-phenylpropan-1-ol;bis(1,1,1-trifluoro-2-phenylpropan-2-ol)?

The canonical SMILES for 1,4-dimethylcyclopenta-1,3-diene;tris((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten);tetrakis(2,5-dimethylpyrrol-1-ide);bis(1,10-phenanthroline);3,3,3-trifluoro-2-methyl-2-phenylpropan-1-ol;bis(1,1,1-trifluoro-2-phenylpropan-2-ol) is CC(CO)(c1ccccc1)C(F)(F)F.CC(O)(c1ccccc1)C(F)(F)F.CC(O)(c1ccccc1)C(F)(F)F.CC1=CC=C(C)C1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1cccc(C)c1N=[W]=CC(C)(C)c1ccccc1.Cc1cccc(C)c1N=[W]=CC(C)(C)c1ccccc1.Cc1cccc(C)c1N=[W]=CC(C)(C)c1ccccc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.

What is the InChIKey of 1,4-dimethylcyclopenta-1,3-diene;tris((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten);tetrakis(2,5-dimethylpyrrol-1-ide);bis(1,10-phenanthroline);3,3,3-trifluoro-2-methyl-2-phenylpropan-1-ol;bis(1,1,1-trifluoro-2-phenylpropan-2-ol)?

The InChIKey is POGFZSPZAYZVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H8N2.C10H11F3O.3C10H12.2C9H9F3O.3C8H9N.C7H10.4C6H8N.3W/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-9(7-14,10(11,12)13)8-5-3-2-4-6-8;3*1-10(2,3)9-7-5-4-6-8-9;2*1-8(13,9(10,11)12)7-5-3-2-4-6-7;3*1-6-4-3-5-7(2)8(6)9;1-6-3-4-7(2)5-6;4*1-5-3-4-6(2)7-5;;;/h2*1-8H;2-6,14H,7H2,1H3;3*1,4-8H,2-3H3;2*2-6,13H,1H3;3*3-5H,1-2H3;3-4H,5H2,1-2H3;4*3-4H,1-2H3;;;/q;;;;;;;;;;;;4*-1;;;.

What are the key properties of 1,4-dimethylcyclopenta-1,3-diene;tris((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten);tetrakis(2,5-dimethylpyrrol-1-ide);bis(1,10-phenanthroline);3,3,3-trifluoro-2-methyl-2-phenylpropan-1-ol;bis(1,1,1-trifluoro-2-phenylpropan-2-ol)?

1,4-dimethylcyclopenta-1,3-diene;tris((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten);tetrakis(2,5-dimethylpyrrol-1-ide);bis(1,10-phenanthroline);3,3,3-trifluoro-2-methyl-2-phenylpropan-1-ol;bis(1,1,1-trifluoro-2-phenylpropan-2-ol) has a molecular weight of 2721.28 g/mol, XLogP of 35.25, 13 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-dimethylcyclopenta-1,3-diene;tris((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten);tetrakis(2,5-dimethylpyrrol-1-ide);bis(1,10-phenanthroline);3,3,3-trifluoro-2-methyl-2-phenylpropan-1-ol;bis(1,1,1-trifluoro-2-phenylpropan-2-ol) is sourced from PubChem (CID 158738721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).