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

C149H159Mo3N6O3-3 — CID 159589406

IUPACbis(2,5-dimethylpyrrol-1-ide);tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-methyl-2,6-diphenylphenol;pyrrol-1-ide;bis(2,4,6-triphenylphenol)
SMILESCC(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.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Oc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.Oc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.c1cc[n-]c1
InChIInChI=1S/2C24H18O.C19H16O.3C12H17N.3C10H12.2C6H8N.C4H4N.3Mo/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;1-14-12-17(15-8-4-2-5-9-15)19(20)18(13-14)16-10-6-3-7-11-16;3*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;2*1-5-3-4-6(2)7-5;1-2-4-5-3-1;;;/h2*1-17,25H;2-13,20H,1H3;3*5-9H,1-4H3;3*1,4-8H,2-3H3;2*3-4H,1-2H3;1-4H;;;/q;;;;;;;;;3*-1;;;
InChIKeyMPSHBKRCEUXBPP-UHFFFAOYSA-N
MW2369.77 g/mol
LogP40.82
Rot. Bonds23

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

bis(2,5-dimethylpyrrol-1-ide);tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-methyl-2,6-diphenylphenol;pyrrol-1-ide;bis(2,4,6-triphenylphenol) (PubChem CID 159589406) has the molecular formula C149H159Mo3N6O3-3 and a molecular weight of 2369.77 g/mol. Its IUPAC name is bis(2,5-dimethylpyrrol-1-ide);tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-methyl-2,6-diphenylphenol;pyrrol-1-ide;bis(2,4,6-triphenylphenol).

Molecular Properties

Compound Namebis(2,5-dimethylpyrrol-1-ide);tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-methyl-2,6-diphenylphenol;pyrrol-1-ide;bis(2,4,6-triphenylphenol)
PubChem CID159589406
Molecular FormulaC149H159Mo3N6O3-3
Molecular Weight2369.77 g/mol
Exact Mass2373.97
IUPAC Namebis(2,5-dimethylpyrrol-1-ide);tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-methyl-2,6-diphenylphenol;pyrrol-1-ide;bis(2,4,6-triphenylphenol)
SMILESCC(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.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Oc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.Oc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.c1cc[n-]c1
InChIInChI=1S/2C24H18O.C19H16O.3C12H17N.3C10H12.2C6H8N.C4H4N.3Mo/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;1-14-12-17(15-8-4-2-5-9-15)19(20)18(13-14)16-10-6-3-7-11-16;3*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;2*1-5-3-4-6(2)7-5;1-2-4-5-3-1;;;/h2*1-17,25H;2-13,20H,1H3;3*5-9H,1-4H3;3*1,4-8H,2-3H3;2*3-4H,1-2H3;1-4H;;;/q;;;;;;;;;3*-1;;;
InChIKeyMPSHBKRCEUXBPP-UHFFFAOYSA-N
XLogP40.82
TPSA140.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms161
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002369.77
LogP ≤ 540.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze bis(2,5-dimethylpyrrol-1-ide);tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-methyl-2,6-diphenylphenol;pyrrol-1-ide;bis(2,4,6-triphenylphenol) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(2,5-dimethylpyrrol-1-ide);tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-methyl-2,6-diphenylphenol;pyrrol-1-ide;bis(2,4,6-triphenylphenol)?
The IUPAC name of bis(2,5-dimethylpyrrol-1-ide);tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-methyl-2,6-diphenylphenol;pyrrol-1-ide;bis(2,4,6-triphenylphenol) (CID 159589406) is bis(2,5-dimethylpyrrol-1-ide);tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-methyl-2,6-diphenylphenol;pyrrol-1-ide;bis(2,4,6-triphenylphenol).
What is the SMILES notation for bis(2,5-dimethylpyrrol-1-ide);tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-methyl-2,6-diphenylphenol;pyrrol-1-ide;bis(2,4,6-triphenylphenol)?
The canonical SMILES for bis(2,5-dimethylpyrrol-1-ide);tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-methyl-2,6-diphenylphenol;pyrrol-1-ide;bis(2,4,6-triphenylphenol) 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.Cc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Oc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.Oc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.c1cc[n-]c1.
What is the InChIKey of bis(2,5-dimethylpyrrol-1-ide);tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-methyl-2,6-diphenylphenol;pyrrol-1-ide;bis(2,4,6-triphenylphenol)?
The InChIKey is MPSHBKRCEUXBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H18O.C19H16O.3C12H17N.3C10H12.2C6H8N.C4H4N.3Mo/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;1-14-12-17(15-8-4-2-5-9-15)19(20)18(13-14)16-10-6-3-7-11-16;3*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;2*1-5-3-4-6(2)7-5;1-2-4-5-3-1;;;/h2*1-17,25H;2-13,20H,1H3;3*5-9H,1-4H3;3*1,4-8H,2-3H3;2*3-4H,1-2H3;1-4H;;;/q;;;;;;;;;3*-1;;;.
What are the key properties of bis(2,5-dimethylpyrrol-1-ide);tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-methyl-2,6-diphenylphenol;pyrrol-1-ide;bis(2,4,6-triphenylphenol)?
bis(2,5-dimethylpyrrol-1-ide);tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-methyl-2,6-diphenylphenol;pyrrol-1-ide;bis(2,4,6-triphenylphenol) has a molecular weight of 2369.77 g/mol, XLogP of 40.82, 23 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,5-dimethylpyrrol-1-ide);tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-methyl-2,6-diphenylphenol;pyrrol-1-ide;bis(2,4,6-triphenylphenol) is sourced from PubChem (CID 159589406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).