2,6-ditert-butylphenol;heptakis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tris(2,5-dimethylpyrrol-1-ide);bis(4-fluoro-2,6-diphenylphenol);4-methyl-2,6-diphenylphenol;tetrakis(pyrrol-1-ide);bis(2,4,6-triphenylphenol);tris(4-methylphenyl)methanol

C250H253Cl14F2N14O7W7-7 — CID 157334743

About 2,6-ditert-butylphenol;heptakis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tris(2,5-dimethylpyrrol-1-ide);bis(4-fluoro-2,6-diphenylphenol);4-methyl-2,6-diphenylphenol;tetrakis(pyrrol-1-ide);bis(2,4,6-triphenylphenol);tris(4-methylphenyl)methanol

2,6-ditert-butylphenol;heptakis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tris(2,5-dimethylpyrrol-1-ide);bis(4-fluoro-2,6-diphenylphenol);4-methyl-2,6-diphenylphenol;tetrakis(pyrrol-1-ide);bis(2,4,6-triphenylphenol);tris(4-methylphenyl)methanol (PubChem CID 157334743) has the molecular formula C250H253Cl14F2N14O7W7-7 and a molecular weight of 5387.08 g/mol. Its IUPAC name is 2,6-ditert-butylphenol;heptakis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tris(2,5-dimethylpyrrol-1-ide);bis(4-fluoro-2,6-diphenylphenol);4-methyl-2,6-diphenylphenol;tetrakis(pyrrol-1-ide);bis(2,4,6-triphenylphenol);tris(4-methylphenyl)methanol.

Molecular Properties

• Compound Name: 2,6-ditert-butylphenol;heptakis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tris(2,5-dimethylpyrrol-1-ide);bis(4-fluoro-2,6-diphenylphenol);4-methyl-2,6-diphenylphenol;tetrakis(pyrrol-1-ide);bis(2,4,6-triphenylphenol);tris(4-methylphenyl)methanol
• PubChem CID: 157334743
• Molecular Formula: C250H253Cl14F2N14O7W7-7
• Molecular Weight: 5387.08 g/mol
• Exact Mass: 5378.21
• IUPAC Name: 2,6-ditert-butylphenol;heptakis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tris(2,5-dimethylpyrrol-1-ide);bis(4-fluoro-2,6-diphenylphenol);4-methyl-2,6-diphenylphenol;tetrakis(pyrrol-1-ide);bis(2,4,6-triphenylphenol);tris(4-methylphenyl)methanol
• SMILES: CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)c1cccc(C(C)(C)C)c1O.Cc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1.Cc1ccc(C(O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Oc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.Oc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.Oc1c(-c2ccccc2)cc(F)cc1-c1ccccc1.Oc1c(-c2ccccc2)cc(F)cc1-c1ccccc1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1
• InChI: InChI=1S/2C24H18O.C22H22O.C19H16O.2C18H13FO.C14H22O.7C6H3Cl2N.3C6H8N.7C5H10.4C4H4N.7W/c2*25-24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20;1-16-4-10-19(11-5-16)22(23,20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;1-14-12-17(15-8-4-2-5-9-15)19(20)18(13-14)16-10-6-3-7-11-16;2*19-15-11-16(13-7-3-1-4-8-13)18(20)17(12-15)14-9-5-2-6-10-14;1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6;7*7-4-2-1-3-5(8)6(4)9;3*1-5-3-4-6(2)7-5;7*1-5(2,3)4;4*1-2-4-5-3-1;;;;;;;/h2*1-17,25H;4-15,23H,1-3H3;2-13,20H,1H3;2*1-12,20H;7-9,15H,1-6H3;7*1-3H;3*3-4H,1-2H3;7*1H,2-4H3;4*1-4H;;;;;;;/q;;;;;;;;;;;;;;3*-1;;;;;;;;4*-1
• InChIKey: QSDNYRFKCSVRJY-UHFFFAOYSA-N
• XLogP: 75.97
• TPSA: 326.83 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 14
• Rotatable Bonds: 22
• Heavy Atoms: 294
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5387.08
LogP ≤ 5	75.97
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butylphenol;heptakis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tris(2,5-dimethylpyrrol-1-ide);bis(4-fluoro-2,6-diphenylphenol);4-methyl-2,6-diphenylphenol;tetrakis(pyrrol-1-ide);bis(2,4,6-triphenylphenol);tris(4-methylphenyl)methanol?

The IUPAC name of 2,6-ditert-butylphenol;heptakis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tris(2,5-dimethylpyrrol-1-ide);bis(4-fluoro-2,6-diphenylphenol);4-methyl-2,6-diphenylphenol;tetrakis(pyrrol-1-ide);bis(2,4,6-triphenylphenol);tris(4-methylphenyl)methanol (CID 157334743) is 2,6-ditert-butylphenol;heptakis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tris(2,5-dimethylpyrrol-1-ide);bis(4-fluoro-2,6-diphenylphenol);4-methyl-2,6-diphenylphenol;tetrakis(pyrrol-1-ide);bis(2,4,6-triphenylphenol);tris(4-methylphenyl)methanol.

What is the SMILES notation for 2,6-ditert-butylphenol;heptakis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tris(2,5-dimethylpyrrol-1-ide);bis(4-fluoro-2,6-diphenylphenol);4-methyl-2,6-diphenylphenol;tetrakis(pyrrol-1-ide);bis(2,4,6-triphenylphenol);tris(4-methylphenyl)methanol?

The canonical SMILES for 2,6-ditert-butylphenol;heptakis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tris(2,5-dimethylpyrrol-1-ide);bis(4-fluoro-2,6-diphenylphenol);4-methyl-2,6-diphenylphenol;tetrakis(pyrrol-1-ide);bis(2,4,6-triphenylphenol);tris(4-methylphenyl)methanol is CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)c1cccc(C(C)(C)C)c1O.Cc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1.Cc1ccc(C(O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Oc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.Oc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.Oc1c(-c2ccccc2)cc(F)cc1-c1ccccc1.Oc1c(-c2ccccc2)cc(F)cc1-c1ccccc1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1.

What is the InChIKey of 2,6-ditert-butylphenol;heptakis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tris(2,5-dimethylpyrrol-1-ide);bis(4-fluoro-2,6-diphenylphenol);4-methyl-2,6-diphenylphenol;tetrakis(pyrrol-1-ide);bis(2,4,6-triphenylphenol);tris(4-methylphenyl)methanol?

The InChIKey is QSDNYRFKCSVRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H18O.C22H22O.C19H16O.2C18H13FO.C14H22O.7C6H3Cl2N.3C6H8N.7C5H10.4C4H4N.7W/c2*25-24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20;1-16-4-10-19(11-5-16)22(23,20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;1-14-12-17(15-8-4-2-5-9-15)19(20)18(13-14)16-10-6-3-7-11-16;2*19-15-11-16(13-7-3-1-4-8-13)18(20)17(12-15)14-9-5-2-6-10-14;1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6;7*7-4-2-1-3-5(8)6(4)9;3*1-5-3-4-6(2)7-5;7*1-5(2,3)4;4*1-2-4-5-3-1;;;;;;;/h2*1-17,25H;4-15,23H,1-3H3;2-13,20H,1H3;2*1-12,20H;7-9,15H,1-6H3;7*1-3H;3*3-4H,1-2H3;7*1H,2-4H3;4*1-4H;;;;;;;/q;;;;;;;;;;;;;;3*-1;;;;;;;;4*-1;;;;;;;.

What are the key properties of 2,6-ditert-butylphenol;heptakis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tris(2,5-dimethylpyrrol-1-ide);bis(4-fluoro-2,6-diphenylphenol);4-methyl-2,6-diphenylphenol;tetrakis(pyrrol-1-ide);bis(2,4,6-triphenylphenol);tris(4-methylphenyl)methanol?

2,6-ditert-butylphenol;heptakis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tris(2,5-dimethylpyrrol-1-ide);bis(4-fluoro-2,6-diphenylphenol);4-methyl-2,6-diphenylphenol;tetrakis(pyrrol-1-ide);bis(2,4,6-triphenylphenol);tris(4-methylphenyl)methanol has a molecular weight of 5387.08 g/mol, XLogP of 75.97, 22 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-ditert-butylphenol;heptakis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tris(2,5-dimethylpyrrol-1-ide);bis(4-fluoro-2,6-diphenylphenol);4-methyl-2,6-diphenylphenol;tetrakis(pyrrol-1-ide);bis(2,4,6-triphenylphenol);tris(4-methylphenyl)methanol is sourced from PubChem (CID 157334743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).