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

C188H216Mo2N12O4W2-4 — CID 157231930

IUPACtetrakis(4-(dimethylamino)-2,6-diphenylphenol);bis(2,5-dimethylpyrrol-1-ide);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);bis(pyrrol-1-ide)
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=[W]=CC(C)(C)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[W]=CC(C)(C)c1ccccc1.CN(C)c1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1.CN(C)c1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1.CN(C)c1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1.CN(C)c1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.c1cc[n-]c1.c1cc[n-]c1
InChIInChI=1S/4C20H19NO.4C12H17N.4C10H12.2C6H8N.2C4H4N.2Mo.2W/c4*1-21(2)17-13-18(15-9-5-3-6-10-15)20(22)19(14-17)16-11-7-4-8-12-16;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;;;;/h4*3-14,22H,1-2H3;4*5-9H,1-4H3;4*1,4-8H,2-3H3;2*3-4H,1-2H3;2*1-4H;;;;/q;;;;;;;;;;;;4*-1;;;;
InChIKeyXCHCEQHVHISLQF-UHFFFAOYSA-N
MW3267.44 g/mol
LogP49.42
Rot. Bonds32

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

tetrakis(4-(dimethylamino)-2,6-diphenylphenol);bis(2,5-dimethylpyrrol-1-ide);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);bis(pyrrol-1-ide) (PubChem CID 157231930) has the molecular formula C188H216Mo2N12O4W2-4 and a molecular weight of 3267.44 g/mol. Its IUPAC name is tetrakis(4-(dimethylamino)-2,6-diphenylphenol);bis(2,5-dimethylpyrrol-1-ide);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);bis(pyrrol-1-ide).

Molecular Properties

Compound Nametetrakis(4-(dimethylamino)-2,6-diphenylphenol);bis(2,5-dimethylpyrrol-1-ide);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);bis(pyrrol-1-ide)
PubChem CID157231930
Molecular FormulaC188H216Mo2N12O4W2-4
Molecular Weight3267.44 g/mol
Exact Mass3269.42
IUPAC Nametetrakis(4-(dimethylamino)-2,6-diphenylphenol);bis(2,5-dimethylpyrrol-1-ide);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);bis(pyrrol-1-ide)
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=[W]=CC(C)(C)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[W]=CC(C)(C)c1ccccc1.CN(C)c1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1.CN(C)c1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1.CN(C)c1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1.CN(C)c1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.c1cc[n-]c1.c1cc[n-]c1
InChIInChI=1S/4C20H19NO.4C12H17N.4C10H12.2C6H8N.2C4H4N.2Mo.2W/c4*1-21(2)17-13-18(15-9-5-3-6-10-15)20(22)19(14-17)16-11-7-4-8-12-16;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;;;;/h4*3-14,22H,1-2H3;4*5-9H,1-4H3;4*1,4-8H,2-3H3;2*3-4H,1-2H3;2*1-4H;;;;/q;;;;;;;;;;;;4*-1;;;;
InChIKeyXCHCEQHVHISLQF-UHFFFAOYSA-N
XLogP49.42
TPSA199.72 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds32
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003267.44
LogP ≤ 549.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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

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Frequently Asked Questions

What is the IUPAC name of tetrakis(4-(dimethylamino)-2,6-diphenylphenol);bis(2,5-dimethylpyrrol-1-ide);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);bis(pyrrol-1-ide)?
The IUPAC name of tetrakis(4-(dimethylamino)-2,6-diphenylphenol);bis(2,5-dimethylpyrrol-1-ide);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);bis(pyrrol-1-ide) (CID 157231930) is tetrakis(4-(dimethylamino)-2,6-diphenylphenol);bis(2,5-dimethylpyrrol-1-ide);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);bis(pyrrol-1-ide).
What is the SMILES notation for tetrakis(4-(dimethylamino)-2,6-diphenylphenol);bis(2,5-dimethylpyrrol-1-ide);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);bis(pyrrol-1-ide)?
The canonical SMILES for tetrakis(4-(dimethylamino)-2,6-diphenylphenol);bis(2,5-dimethylpyrrol-1-ide);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);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=[W]=CC(C)(C)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[W]=CC(C)(C)c1ccccc1.CN(C)c1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1.CN(C)c1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1.CN(C)c1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1.CN(C)c1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.c1cc[n-]c1.c1cc[n-]c1.
What is the InChIKey of tetrakis(4-(dimethylamino)-2,6-diphenylphenol);bis(2,5-dimethylpyrrol-1-ide);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);bis(pyrrol-1-ide)?
The InChIKey is XCHCEQHVHISLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/4C20H19NO.4C12H17N.4C10H12.2C6H8N.2C4H4N.2Mo.2W/c4*1-21(2)17-13-18(15-9-5-3-6-10-15)20(22)19(14-17)16-11-7-4-8-12-16;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;;;;/h4*3-14,22H,1-2H3;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 tetrakis(4-(dimethylamino)-2,6-diphenylphenol);bis(2,5-dimethylpyrrol-1-ide);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);bis(pyrrol-1-ide)?
tetrakis(4-(dimethylamino)-2,6-diphenylphenol);bis(2,5-dimethylpyrrol-1-ide);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);bis(pyrrol-1-ide) has a molecular weight of 3267.44 g/mol, XLogP of 49.42, 32 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(4-(dimethylamino)-2,6-diphenylphenol);bis(2,5-dimethylpyrrol-1-ide);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);bis(pyrrol-1-ide) is sourced from PubChem (CID 157231930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).