bis(2,5-dimethylpyrrol-1-ide);tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(4-fluoro-2,6-diphenylphenol);bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide)

C182H198F2Mo4N8O4-4 — CID 161098261

About bis(2,5-dimethylpyrrol-1-ide);tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(4-fluoro-2,6-diphenylphenol);bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide)

bis(2,5-dimethylpyrrol-1-ide);tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(4-fluoro-2,6-diphenylphenol);bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide) (PubChem CID 161098261) has the molecular formula C182H198F2Mo4N8O4-4 and a molecular weight of 2983.39 g/mol. Its IUPAC name is bis(2,5-dimethylpyrrol-1-ide);tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(4-fluoro-2,6-diphenylphenol);bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide).

Molecular Properties

• Compound Name: bis(2,5-dimethylpyrrol-1-ide);tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(4-fluoro-2,6-diphenylphenol);bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide)
• PubChem CID: 161098261
• Molecular Formula: C182H198F2Mo4N8O4-4
• Molecular Weight: 2983.39 g/mol
• Exact Mass: 2989.17
• IUPAC Name: bis(2,5-dimethylpyrrol-1-ide);tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(4-fluoro-2,6-diphenylphenol);bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide)
• SMILES: CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.Cc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1.Cc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Oc1c(-c2ccccc2)cc(F)cc1-c1ccccc1.Oc1c(-c2ccccc2)cc(F)cc1-c1ccccc1.c1cc[n-]c1.c1cc[n-]c1
• InChI: InChI=1S/2C19H16O.2C18H13FO.4C12H17N.4C10H12.2C6H8N.2C4H4N.4Mo/c2*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;4*1-8(2)10-6-5-7-11(9(3)4)12(10)13;4*1-10(2,3)9-7-5-4-6-8-9;2*1-5-3-4-6(2)7-5;2*1-2-4-5-3-1;;;;/h2*2-13,20H,1H3;2*1-12,20H;4*5-9H,1-4H3;4*1,4-8H,2-3H3;2*3-4H,1-2H3;2*1-4H;;;;/q;;;;;;;;;;;;4*-1
• InChIKey: ASBGNPVWDVNDBN-UHFFFAOYSA-N
• XLogP: 50.05
• TPSA: 186.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 28
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2983.39
LogP ≤ 5	50.05
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of bis(2,5-dimethylpyrrol-1-ide);tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(4-fluoro-2,6-diphenylphenol);bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide)?

The IUPAC name of bis(2,5-dimethylpyrrol-1-ide);tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(4-fluoro-2,6-diphenylphenol);bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide) (CID 161098261) is bis(2,5-dimethylpyrrol-1-ide);tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(4-fluoro-2,6-diphenylphenol);bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide).

What is the SMILES notation for bis(2,5-dimethylpyrrol-1-ide);tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(4-fluoro-2,6-diphenylphenol);bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide)?

The canonical SMILES for bis(2,5-dimethylpyrrol-1-ide);tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(4-fluoro-2,6-diphenylphenol);bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide) is CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.Cc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1.Cc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Oc1c(-c2ccccc2)cc(F)cc1-c1ccccc1.Oc1c(-c2ccccc2)cc(F)cc1-c1ccccc1.c1cc[n-]c1.c1cc[n-]c1.

What is the InChIKey of bis(2,5-dimethylpyrrol-1-ide);tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(4-fluoro-2,6-diphenylphenol);bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide)?

The InChIKey is ASBGNPVWDVNDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H16O.2C18H13FO.4C12H17N.4C10H12.2C6H8N.2C4H4N.4Mo/c2*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;4*1-8(2)10-6-5-7-11(9(3)4)12(10)13;4*1-10(2,3)9-7-5-4-6-8-9;2*1-5-3-4-6(2)7-5;2*1-2-4-5-3-1;;;;/h2*2-13,20H,1H3;2*1-12,20H;4*5-9H,1-4H3;4*1,4-8H,2-3H3;2*3-4H,1-2H3;2*1-4H;;;;/q;;;;;;;;;;;;4*-1;;;;.

What are the key properties of bis(2,5-dimethylpyrrol-1-ide);tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(4-fluoro-2,6-diphenylphenol);bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide)?

bis(2,5-dimethylpyrrol-1-ide);tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(4-fluoro-2,6-diphenylphenol);bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide) has a molecular weight of 2983.39 g/mol, XLogP of 50.05, 28 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2,5-dimethylpyrrol-1-ide);tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(4-fluoro-2,6-diphenylphenol);bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide) is sourced from PubChem (CID 161098261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).