bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);bis(2,5-dimethylpyrrol-1-ide);methane;bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide);pentakis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol

C223H273F15Mo6N10O8-4 — CID 158830159

IUPACbis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);bis(2,5-dimethylpyrrol-1-ide);methane;bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide);pentakis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol
SMILESC.C.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.CC(O)(c1ccccc1)C(F)(F)F.CC(O)(c1ccccc1)C(F)(F)F.CC(O)(c1ccccc1)C(F)(F)F.CC(O)(c1ccccc1)C(F)(F)F.CC(O)(c1ccccc1)C(F)(F)F.Cc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1.Cc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1cccc(C)c1N=[Mo]=CC(C)(C)C.Cc1cccc(C)c1N=[Mo]=CC(C)(C)C.Oc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.c1cc[n-]c1.c1cc[n-]c1
InChIInChI=1S/C24H18O.2C19H16O.4C12H17N.5C9H9F3O.2C8H9N.2C6H8N.6C5H10.2C4H4N.2CH4.6Mo/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;4*1-8(2)10-6-5-7-11(9(3)4)12(10)13;5*1-8(13,9(10,11)12)7-5-3-2-4-6-7;2*1-6-4-3-5-7(2)8(6)9;2*1-5-3-4-6(2)7-5;6*1-5(2,3)4;2*1-2-4-5-3-1;;;;;;;;/h1-17,25H;2*2-13,20H,1H3;4*5-9H,1-4H3;5*2-6,13H,1H3;2*3-5H,1-2H3;2*3-4H,1-2H3;6*1H,2-4H3;2*1-4H;2*1H4;;;;;;/q;;;;;;;;;;;;;;2*-1;;;;;;;2*-1;;;;;;;;
InChIKeyDTOGIVVVOYRXEO-UHFFFAOYSA-N
MW4082.31 g/mol
LogP64.64
Rot. Bonds26

About bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);bis(2,5-dimethylpyrrol-1-ide);methane;bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide);pentakis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol

bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);bis(2,5-dimethylpyrrol-1-ide);methane;bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide);pentakis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol (PubChem CID 158830159) has the molecular formula C223H273F15Mo6N10O8-4 and a molecular weight of 4082.31 g/mol. Its IUPAC name is bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);bis(2,5-dimethylpyrrol-1-ide);methane;bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide);pentakis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol.

Molecular Properties

Compound Namebis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);bis(2,5-dimethylpyrrol-1-ide);methane;bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide);pentakis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol
PubChem CID158830159
Molecular FormulaC223H273F15Mo6N10O8-4
Molecular Weight4082.31 g/mol
Exact Mass4091.54
IUPAC Namebis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);bis(2,5-dimethylpyrrol-1-ide);methane;bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide);pentakis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol
SMILESC.C.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.CC(O)(c1ccccc1)C(F)(F)F.CC(O)(c1ccccc1)C(F)(F)F.CC(O)(c1ccccc1)C(F)(F)F.CC(O)(c1ccccc1)C(F)(F)F.CC(O)(c1ccccc1)C(F)(F)F.Cc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1.Cc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1cccc(C)c1N=[Mo]=CC(C)(C)C.Cc1cccc(C)c1N=[Mo]=CC(C)(C)C.Oc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.c1cc[n-]c1.c1cc[n-]c1
InChIInChI=1S/C24H18O.2C19H16O.4C12H17N.5C9H9F3O.2C8H9N.2C6H8N.6C5H10.2C4H4N.2CH4.6Mo/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;4*1-8(2)10-6-5-7-11(9(3)4)12(10)13;5*1-8(13,9(10,11)12)7-5-3-2-4-6-7;2*1-6-4-3-5-7(2)8(6)9;2*1-5-3-4-6(2)7-5;6*1-5(2,3)4;2*1-2-4-5-3-1;;;;;;;;/h1-17,25H;2*2-13,20H,1H3;4*5-9H,1-4H3;5*2-6,13H,1H3;2*3-5H,1-2H3;2*3-4H,1-2H3;6*1H,2-4H3;2*1-4H;2*1H4;;;;;;/q;;;;;;;;;;;;;;2*-1;;;;;;;2*-1;;;;;;;;
InChIKeyDTOGIVVVOYRXEO-UHFFFAOYSA-N
XLogP64.64
TPSA292.40 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds26
Heavy Atoms262
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004082.31
LogP ≤ 564.64
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

Analyze bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);bis(2,5-dimethylpyrrol-1-ide);methane;bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide);pentakis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);bis(2,5-dimethylpyrrol-1-ide);methane;bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide);pentakis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol?
The IUPAC name of bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);bis(2,5-dimethylpyrrol-1-ide);methane;bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide);pentakis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol (CID 158830159) is bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);bis(2,5-dimethylpyrrol-1-ide);methane;bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide);pentakis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol.
What is the SMILES notation for bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);bis(2,5-dimethylpyrrol-1-ide);methane;bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide);pentakis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol?
The canonical SMILES for bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);bis(2,5-dimethylpyrrol-1-ide);methane;bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide);pentakis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol is C.C.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.CC(O)(c1ccccc1)C(F)(F)F.CC(O)(c1ccccc1)C(F)(F)F.CC(O)(c1ccccc1)C(F)(F)F.CC(O)(c1ccccc1)C(F)(F)F.CC(O)(c1ccccc1)C(F)(F)F.Cc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1.Cc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1cccc(C)c1N=[Mo]=CC(C)(C)C.Cc1cccc(C)c1N=[Mo]=CC(C)(C)C.Oc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.c1cc[n-]c1.c1cc[n-]c1.
What is the InChIKey of bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);bis(2,5-dimethylpyrrol-1-ide);methane;bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide);pentakis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol?
The InChIKey is DTOGIVVVOYRXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O.2C19H16O.4C12H17N.5C9H9F3O.2C8H9N.2C6H8N.6C5H10.2C4H4N.2CH4.6Mo/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;4*1-8(2)10-6-5-7-11(9(3)4)12(10)13;5*1-8(13,9(10,11)12)7-5-3-2-4-6-7;2*1-6-4-3-5-7(2)8(6)9;2*1-5-3-4-6(2)7-5;6*1-5(2,3)4;2*1-2-4-5-3-1;;;;;;;;/h1-17,25H;2*2-13,20H,1H3;4*5-9H,1-4H3;5*2-6,13H,1H3;2*3-5H,1-2H3;2*3-4H,1-2H3;6*1H,2-4H3;2*1-4H;2*1H4;;;;;;/q;;;;;;;;;;;;;;2*-1;;;;;;;2*-1;;;;;;;;.
What are the key properties of bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);bis(2,5-dimethylpyrrol-1-ide);methane;bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide);pentakis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol?
bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);bis(2,5-dimethylpyrrol-1-ide);methane;bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide);pentakis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol has a molecular weight of 4082.31 g/mol, XLogP of 64.64, 26 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);bis(2,5-dimethylpyrrol-1-ide);methane;bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide);pentakis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol is sourced from PubChem (CID 158830159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).