(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)tungsten;(3,5-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;tris(2-[4-methyl-2,6-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol);bis(pyrrol-1-ide)

C158H207Cl2N6O3W3-3 — CID 162076601

About (2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)tungsten;(3,5-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;tris(2-[4-methyl-2,6-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol);bis(pyrrol-1-ide)

(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)tungsten;(3,5-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;tris(2-[4-methyl-2,6-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol);bis(pyrrol-1-ide) (PubChem CID 162076601) has the molecular formula C158H207Cl2N6O3W3-3 and a molecular weight of 2860.86 g/mol. Its IUPAC name is (2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)tungsten;(3,5-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;tris(2-[4-methyl-2,6-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol);bis(pyrrol-1-ide).

Molecular Properties

• Compound Name: (2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)tungsten;(3,5-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;tris(2-[4-methyl-2,6-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol);bis(pyrrol-1-ide)
• PubChem CID: 162076601
• Molecular Formula: C158H207Cl2N6O3W3-3
• Molecular Weight: 2860.86 g/mol
• Exact Mass: 2858.42
• IUPAC Name: (2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)tungsten;(3,5-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;tris(2-[4-methyl-2,6-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol);bis(pyrrol-1-ide)
• SMILES: CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.Cc1cc(C(C)C)c(-c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2O)c(C(C)C)c1.Cc1cc(C(C)C)c(-c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2O)c(C(C)C)c1.Cc1cc(C(C)C)c(-c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2O)c(C(C)C)c1.Cc1cc(C)cc(N=[W]=CC(C)(C)c2ccccc2)c1.Cc1ccc(C)[n-]1.Cc1cccc(C)c1N=[W]=CC(C)(C)C.c1cc[n-]c1.c1cc[n-]c1
• InChI: InChI=1S/3C34H46O.C10H12.2C8H9N.C6H3Cl2N.C6H8N.2C5H10.2C4H4N.3W/c3*1-19(2)25-17-30(22(7)8)33(31(18-25)23(9)10)27-14-12-13-26(34(27)35)32-28(20(3)4)15-24(11)16-29(32)21(5)6;1-10(2,3)9-7-5-4-6-8-9;1-6-3-7(2)5-8(9)4-6;1-6-4-3-5-7(2)8(6)9;7-4-2-1-3-5(8)6(4)9;1-5-3-4-6(2)7-5;2*1-5(2,3)4;2*1-2-4-5-3-1;;;/h3*12-23,35H,1-11H3;1,4-8H,2-3H3;2*3-5H,1-2H3;1-3H;3-4H,1-2H3;2*1H,2-4H3;2*1-4H;;;/q;;;;;;;-1;;;2*-1
• InChIKey: GLGDXLOKKWIDKB-UHFFFAOYSA-N
• XLogP: 48.27
• TPSA: 140.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 26
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2860.86
LogP ≤ 5	48.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)tungsten;(3,5-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;tris(2-[4-methyl-2,6-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol);bis(pyrrol-1-ide)?

The IUPAC name of (2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)tungsten;(3,5-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;tris(2-[4-methyl-2,6-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol);bis(pyrrol-1-ide) (CID 162076601) is (2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)tungsten;(3,5-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;tris(2-[4-methyl-2,6-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol);bis(pyrrol-1-ide).

What is the SMILES notation for (2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)tungsten;(3,5-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;tris(2-[4-methyl-2,6-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol);bis(pyrrol-1-ide)?

The canonical SMILES for (2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)tungsten;(3,5-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;tris(2-[4-methyl-2,6-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol);bis(pyrrol-1-ide) is CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.Cc1cc(C(C)C)c(-c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2O)c(C(C)C)c1.Cc1cc(C(C)C)c(-c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2O)c(C(C)C)c1.Cc1cc(C(C)C)c(-c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2O)c(C(C)C)c1.Cc1cc(C)cc(N=[W]=CC(C)(C)c2ccccc2)c1.Cc1ccc(C)[n-]1.Cc1cccc(C)c1N=[W]=CC(C)(C)C.c1cc[n-]c1.c1cc[n-]c1.

What is the InChIKey of (2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)tungsten;(3,5-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;tris(2-[4-methyl-2,6-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol);bis(pyrrol-1-ide)?

The InChIKey is GLGDXLOKKWIDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C34H46O.C10H12.2C8H9N.C6H3Cl2N.C6H8N.2C5H10.2C4H4N.3W/c3*1-19(2)25-17-30(22(7)8)33(31(18-25)23(9)10)27-14-12-13-26(34(27)35)32-28(20(3)4)15-24(11)16-29(32)21(5)6;1-10(2,3)9-7-5-4-6-8-9;1-6-3-7(2)5-8(9)4-6;1-6-4-3-5-7(2)8(6)9;7-4-2-1-3-5(8)6(4)9;1-5-3-4-6(2)7-5;2*1-5(2,3)4;2*1-2-4-5-3-1;;;/h3*12-23,35H,1-11H3;1,4-8H,2-3H3;2*3-5H,1-2H3;1-3H;3-4H,1-2H3;2*1H,2-4H3;2*1-4H;;;/q;;;;;;;-1;;;2*-1;;;.

What are the key properties of (2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)tungsten;(3,5-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;tris(2-[4-methyl-2,6-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol);bis(pyrrol-1-ide)?

(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)tungsten;(3,5-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;tris(2-[4-methyl-2,6-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol);bis(pyrrol-1-ide) has a molecular weight of 2860.86 g/mol, XLogP of 48.27, 26 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)tungsten;(3,5-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;tris(2-[4-methyl-2,6-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol);bis(pyrrol-1-ide) is sourced from PubChem (CID 162076601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).