bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tetrakis(2,5-dimethylpyrrol-1-ide);tris(9-phenylfluoren-9-ol);pyrrol-1-ide;1,1,1-trifluoro-2-phenylpropan-2-ol;triphenylmethanol

C186H210Cl4F3Mo3N10O5W2-5 — CID 159900988

About bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tetrakis(2,5-dimethylpyrrol-1-ide);tris(9-phenylfluoren-9-ol);pyrrol-1-ide;1,1,1-trifluoro-2-phenylpropan-2-ol;triphenylmethanol

bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tetrakis(2,5-dimethylpyrrol-1-ide);tris(9-phenylfluoren-9-ol);pyrrol-1-ide;1,1,1-trifluoro-2-phenylpropan-2-ol;triphenylmethanol (PubChem CID 159900988) has the molecular formula C186H210Cl4F3Mo3N10O5W2-5 and a molecular weight of 3520.10 g/mol. Its IUPAC name is bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tetrakis(2,5-dimethylpyrrol-1-ide);tris(9-phenylfluoren-9-ol);pyrrol-1-ide;1,1,1-trifluoro-2-phenylpropan-2-ol;triphenylmethanol.

Molecular Properties

• Compound Name: bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tetrakis(2,5-dimethylpyrrol-1-ide);tris(9-phenylfluoren-9-ol);pyrrol-1-ide;1,1,1-trifluoro-2-phenylpropan-2-ol;triphenylmethanol
• PubChem CID: 159900988
• Molecular Formula: C186H210Cl4F3Mo3N10O5W2-5
• Molecular Weight: 3520.10 g/mol
• Exact Mass: 3522.14
• IUPAC Name: bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tetrakis(2,5-dimethylpyrrol-1-ide);tris(9-phenylfluoren-9-ol);pyrrol-1-ide;1,1,1-trifluoro-2-phenylpropan-2-ol;triphenylmethanol
• SMILES: CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.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)C.CC(O)(c1ccccc1)C(F)(F)F.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.OC(c1ccccc1)(c1ccccc1)c1ccccc1.OC1(c2ccccc2)c2ccccc2-c2ccccc21.OC1(c2ccccc2)c2ccccc2-c2ccccc21.OC1(c2ccccc2)c2ccccc2-c2ccccc21.c1cc[n-]c1
• InChI: InChI=1S/3C19H14O.C19H16O.3C12H17N.C9H9F3O.2C6H3Cl2N.4C6H8N.5C5H10.C4H4N.3Mo.2W/c3*20-19(14-8-2-1-3-9-14)17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;3*1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-8(13,9(10,11)12)7-5-3-2-4-6-7;2*7-4-2-1-3-5(8)6(4)9;4*1-5-3-4-6(2)7-5;5*1-5(2,3)4;1-2-4-5-3-1;;;;;/h3*1-13,20H;1-15,20H;3*5-9H,1-4H3;2-6,13H,1H3;2*1-3H;4*3-4H,1-2H3;5*1H,2-4H3;1-4H;;;;;/q;;;;;;;;;;4*-1;;;;;;-1
• InChIKey: QLJSKYFTUOJUMS-UHFFFAOYSA-N
• XLogP: 50.48
• TPSA: 233.45 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 18
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3520.10
LogP ≤ 5	50.48
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tetrakis(2,5-dimethylpyrrol-1-ide);tris(9-phenylfluoren-9-ol);pyrrol-1-ide;1,1,1-trifluoro-2-phenylpropan-2-ol;triphenylmethanol?

The IUPAC name of bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tetrakis(2,5-dimethylpyrrol-1-ide);tris(9-phenylfluoren-9-ol);pyrrol-1-ide;1,1,1-trifluoro-2-phenylpropan-2-ol;triphenylmethanol (CID 159900988) is bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tetrakis(2,5-dimethylpyrrol-1-ide);tris(9-phenylfluoren-9-ol);pyrrol-1-ide;1,1,1-trifluoro-2-phenylpropan-2-ol;triphenylmethanol.

What is the SMILES notation for bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tetrakis(2,5-dimethylpyrrol-1-ide);tris(9-phenylfluoren-9-ol);pyrrol-1-ide;1,1,1-trifluoro-2-phenylpropan-2-ol;triphenylmethanol?

The canonical SMILES for bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tetrakis(2,5-dimethylpyrrol-1-ide);tris(9-phenylfluoren-9-ol);pyrrol-1-ide;1,1,1-trifluoro-2-phenylpropan-2-ol;triphenylmethanol is CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.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)C.CC(O)(c1ccccc1)C(F)(F)F.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.OC(c1ccccc1)(c1ccccc1)c1ccccc1.OC1(c2ccccc2)c2ccccc2-c2ccccc21.OC1(c2ccccc2)c2ccccc2-c2ccccc21.OC1(c2ccccc2)c2ccccc2-c2ccccc21.c1cc[n-]c1.

What is the InChIKey of bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tetrakis(2,5-dimethylpyrrol-1-ide);tris(9-phenylfluoren-9-ol);pyrrol-1-ide;1,1,1-trifluoro-2-phenylpropan-2-ol;triphenylmethanol?

The InChIKey is QLJSKYFTUOJUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C19H14O.C19H16O.3C12H17N.C9H9F3O.2C6H3Cl2N.4C6H8N.5C5H10.C4H4N.3Mo.2W/c3*20-19(14-8-2-1-3-9-14)17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;3*1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-8(13,9(10,11)12)7-5-3-2-4-6-7;2*7-4-2-1-3-5(8)6(4)9;4*1-5-3-4-6(2)7-5;5*1-5(2,3)4;1-2-4-5-3-1;;;;;/h3*1-13,20H;1-15,20H;3*5-9H,1-4H3;2-6,13H,1H3;2*1-3H;4*3-4H,1-2H3;5*1H,2-4H3;1-4H;;;;;/q;;;;;;;;;;4*-1;;;;;;-1;;;;;.

What are the key properties of bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tetrakis(2,5-dimethylpyrrol-1-ide);tris(9-phenylfluoren-9-ol);pyrrol-1-ide;1,1,1-trifluoro-2-phenylpropan-2-ol;triphenylmethanol?

bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tetrakis(2,5-dimethylpyrrol-1-ide);tris(9-phenylfluoren-9-ol);pyrrol-1-ide;1,1,1-trifluoro-2-phenylpropan-2-ol;triphenylmethanol has a molecular weight of 3520.10 g/mol, XLogP of 50.48, 18 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tetrakis(2,5-dimethylpyrrol-1-ide);tris(9-phenylfluoren-9-ol);pyrrol-1-ide;1,1,1-trifluoro-2-phenylpropan-2-ol;triphenylmethanol is sourced from PubChem (CID 159900988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).