[2-chloro-6-(trifluoromethyl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;bis(2,5-dimethylpyrrol-1-ide);tris(2,6-diphenylphenol);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;2-[2,4-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol;(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;2-methylpropane;bis(pyrrol-1-ide)

C178H193Cl3F6MoN8O4W3-4 — CID 160583133

About [2-chloro-6-(trifluoromethyl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;bis(2,5-dimethylpyrrol-1-ide);tris(2,6-diphenylphenol);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;2-[2,4-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol;(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;2-methylpropane;bis(pyrrol-1-ide)

[2-chloro-6-(trifluoromethyl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;bis(2,5-dimethylpyrrol-1-ide);tris(2,6-diphenylphenol);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;2-[2,4-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol;(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;2-methylpropane;bis(pyrrol-1-ide) (PubChem CID 160583133) has the molecular formula C178H193Cl3F6MoN8O4W3-4 and a molecular weight of 3376.36 g/mol. Its IUPAC name is [2-chloro-6-(trifluoromethyl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;bis(2,5-dimethylpyrrol-1-ide);tris(2,6-diphenylphenol);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;2-[2,4-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol;(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;2-methylpropane;bis(pyrrol-1-ide).

Molecular Properties

• Compound Name: [2-chloro-6-(trifluoromethyl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;bis(2,5-dimethylpyrrol-1-ide);tris(2,6-diphenylphenol);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;2-[2,4-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol;(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;2-methylpropane;bis(pyrrol-1-ide)
• PubChem CID: 160583133
• Molecular Formula: C178H193Cl3F6MoN8O4W3-4
• Molecular Weight: 3376.36 g/mol
• Exact Mass: 3375.17
• IUPAC Name: [2-chloro-6-(trifluoromethyl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;bis(2,5-dimethylpyrrol-1-ide);tris(2,6-diphenylphenol);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;2-[2,4-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol;(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;2-methylpropane;bis(pyrrol-1-ide)
• SMILES: CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C=[Mo]=Nc1ccccc1C(F)(F)F)c1ccccc1.CC(C)(C=[W]=Nc1c(Cl)cccc1C(F)(F)F)c1ccccc1.CC(C)C.CC(C)c1ccc(-c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2O)c(C(C)C)c1.CC(C)c1cccc(C(C)C)c1N=[W]=CC(C)(C)c1ccccc1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.c1cc[n-]c1.c1cc[n-]c1
• InChI: InChI=1S/C33H44O.3C18H14O.C12H17N.3C10H12.C7H3ClF3N.C7H4F3N.C6H3Cl2N.2C6H8N.C5H10.2C4H4N.C4H10.Mo.3W/c1-19(2)24-14-15-26(29(16-24)21(5)6)27-12-11-13-28(33(27)34)32-30(22(7)8)17-25(20(3)4)18-31(32)23(9)10;3*19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;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;8-5-3-1-2-4(6(5)12)7(9,10)11;8-7(9,10)5-3-1-2-4-6(5)11;7-4-2-1-3-5(8)6(4)9;2*1-5-3-4-6(2)7-5;1-5(2,3)4;2*1-2-4-5-3-1;1-4(2)3;;;;/h11-23,34H,1-10H3;3*1-13,19H;5-9H,1-4H3;3*1,4-8H,2-3H3;1-3H;1-4H;1-3H;2*3-4H,1-2H3;1H,2-4H3;2*1-4H;4H,1-3H3;;;;/q;;;;;;;;;;;2*-1;;2*-1
• InChIKey: BFCARFXCOGBJJT-UHFFFAOYSA-N
• XLogP: 52.76
• TPSA: 186.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 25
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3376.36
LogP ≤ 5	52.76
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(trifluoromethyl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;bis(2,5-dimethylpyrrol-1-ide);tris(2,6-diphenylphenol);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;2-[2,4-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol;(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;2-methylpropane;bis(pyrrol-1-ide)?

The IUPAC name of [2-chloro-6-(trifluoromethyl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;bis(2,5-dimethylpyrrol-1-ide);tris(2,6-diphenylphenol);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;2-[2,4-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol;(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;2-methylpropane;bis(pyrrol-1-ide) (CID 160583133) is [2-chloro-6-(trifluoromethyl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;bis(2,5-dimethylpyrrol-1-ide);tris(2,6-diphenylphenol);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;2-[2,4-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol;(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;2-methylpropane;bis(pyrrol-1-ide).

What is the SMILES notation for [2-chloro-6-(trifluoromethyl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;bis(2,5-dimethylpyrrol-1-ide);tris(2,6-diphenylphenol);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;2-[2,4-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol;(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;2-methylpropane;bis(pyrrol-1-ide)?

The canonical SMILES for [2-chloro-6-(trifluoromethyl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;bis(2,5-dimethylpyrrol-1-ide);tris(2,6-diphenylphenol);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;2-[2,4-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol;(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;2-methylpropane;bis(pyrrol-1-ide) is CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C=[Mo]=Nc1ccccc1C(F)(F)F)c1ccccc1.CC(C)(C=[W]=Nc1c(Cl)cccc1C(F)(F)F)c1ccccc1.CC(C)C.CC(C)c1ccc(-c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2O)c(C(C)C)c1.CC(C)c1cccc(C(C)C)c1N=[W]=CC(C)(C)c1ccccc1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.c1cc[n-]c1.c1cc[n-]c1.

What is the InChIKey of [2-chloro-6-(trifluoromethyl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;bis(2,5-dimethylpyrrol-1-ide);tris(2,6-diphenylphenol);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;2-[2,4-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol;(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;2-methylpropane;bis(pyrrol-1-ide)?

The InChIKey is BFCARFXCOGBJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44O.3C18H14O.C12H17N.3C10H12.C7H3ClF3N.C7H4F3N.C6H3Cl2N.2C6H8N.C5H10.2C4H4N.C4H10.Mo.3W/c1-19(2)24-14-15-26(29(16-24)21(5)6)27-12-11-13-28(33(27)34)32-30(22(7)8)17-25(20(3)4)18-31(32)23(9)10;3*19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;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;8-5-3-1-2-4(6(5)12)7(9,10)11;8-7(9,10)5-3-1-2-4-6(5)11;7-4-2-1-3-5(8)6(4)9;2*1-5-3-4-6(2)7-5;1-5(2,3)4;2*1-2-4-5-3-1;1-4(2)3;;;;/h11-23,34H,1-10H3;3*1-13,19H;5-9H,1-4H3;3*1,4-8H,2-3H3;1-3H;1-4H;1-3H;2*3-4H,1-2H3;1H,2-4H3;2*1-4H;4H,1-3H3;;;;/q;;;;;;;;;;;2*-1;;2*-1;;;;;.

What are the key properties of [2-chloro-6-(trifluoromethyl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;bis(2,5-dimethylpyrrol-1-ide);tris(2,6-diphenylphenol);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;2-[2,4-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol;(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;2-methylpropane;bis(pyrrol-1-ide)?

[2-chloro-6-(trifluoromethyl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;bis(2,5-dimethylpyrrol-1-ide);tris(2,6-diphenylphenol);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;2-[2,4-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol;(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;2-methylpropane;bis(pyrrol-1-ide) has a molecular weight of 3376.36 g/mol, XLogP of 52.76, 25 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2-chloro-6-(trifluoromethyl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;bis(2,5-dimethylpyrrol-1-ide);tris(2,6-diphenylphenol);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;2-[2,4-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol;(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;2-methylpropane;bis(pyrrol-1-ide) is sourced from PubChem (CID 160583133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).