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

C142H153Mo3N6O3-3 — CID 158970872

IUPAC2,5-dimethylpyrrol-1-ide;tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide);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.Cc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1.Cc1ccc(C)[n-]1.Oc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.c1cc[n-]c1.c1cc[n-]c1
InChIInChI=1S/C24H18O.2C19H16O.3C12H17N.3C10H12.C6H8N.2C4H4N.3Mo/c25-24-22(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;2*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;1-5-3-4-6(2)7-5;2*1-2-4-5-3-1;;;/h1-17,25H;2*2-13,20H,1H3;3*5-9H,1-4H3;3*1,4-8H,2-3H3;3-4H,1-2H3;2*1-4H;;;/q;;;;;;;;;3*-1;;;
InChIKeyPENFWEFDNYPXSH-UHFFFAOYSA-N
MW2279.64 g/mol
LogP38.84
Rot. Bonds22

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

2,5-dimethylpyrrol-1-ide;tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide);2,4,6-triphenylphenol (PubChem CID 158970872) has the molecular formula C142H153Mo3N6O3-3 and a molecular weight of 2279.64 g/mol. Its IUPAC name is 2,5-dimethylpyrrol-1-ide;tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide);2,4,6-triphenylphenol.

Molecular Properties

Compound Name2,5-dimethylpyrrol-1-ide;tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide);2,4,6-triphenylphenol
PubChem CID158970872
Molecular FormulaC142H153Mo3N6O3-3
Molecular Weight2279.64 g/mol
Exact Mass2283.92
IUPAC Name2,5-dimethylpyrrol-1-ide;tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide);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.Cc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1.Cc1ccc(C)[n-]1.Oc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.c1cc[n-]c1.c1cc[n-]c1
InChIInChI=1S/C24H18O.2C19H16O.3C12H17N.3C10H12.C6H8N.2C4H4N.3Mo/c25-24-22(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;2*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;1-5-3-4-6(2)7-5;2*1-2-4-5-3-1;;;/h1-17,25H;2*2-13,20H,1H3;3*5-9H,1-4H3;3*1,4-8H,2-3H3;3-4H,1-2H3;2*1-4H;;;/q;;;;;;;;;3*-1;;;
InChIKeyPENFWEFDNYPXSH-UHFFFAOYSA-N
XLogP38.84
TPSA140.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms154
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002279.64
LogP ≤ 538.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylpyrrol-1-ide;tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide);2,4,6-triphenylphenol?
The IUPAC name of 2,5-dimethylpyrrol-1-ide;tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide);2,4,6-triphenylphenol (CID 158970872) is 2,5-dimethylpyrrol-1-ide;tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide);2,4,6-triphenylphenol.
What is the SMILES notation for 2,5-dimethylpyrrol-1-ide;tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide);2,4,6-triphenylphenol?
The canonical SMILES for 2,5-dimethylpyrrol-1-ide;tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide);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.Cc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1.Cc1ccc(C)[n-]1.Oc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.c1cc[n-]c1.c1cc[n-]c1.
What is the InChIKey of 2,5-dimethylpyrrol-1-ide;tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide);2,4,6-triphenylphenol?
The InChIKey is PENFWEFDNYPXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O.2C19H16O.3C12H17N.3C10H12.C6H8N.2C4H4N.3Mo/c25-24-22(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;2*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;1-5-3-4-6(2)7-5;2*1-2-4-5-3-1;;;/h1-17,25H;2*2-13,20H,1H3;3*5-9H,1-4H3;3*1,4-8H,2-3H3;3-4H,1-2H3;2*1-4H;;;/q;;;;;;;;;3*-1;;;.
What are the key properties of 2,5-dimethylpyrrol-1-ide;tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide);2,4,6-triphenylphenol?
2,5-dimethylpyrrol-1-ide;tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide);2,4,6-triphenylphenol has a molecular weight of 2279.64 g/mol, XLogP of 38.84, 22 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylpyrrol-1-ide;tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide);2,4,6-triphenylphenol is sourced from PubChem (CID 158970872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).