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

C158H184F6Mo4N7O5-3 — CID 159253708

IUPAC(2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum;tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,5-dimethylpyrrol-1-ide;bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide);bis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol
SMILESCC(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.Cc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1.Cc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1.Cc1ccc(C)[n-]1.Cc1cccc(C)c1N=[Mo]=CC(C)(C)C.Oc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.c1cc[n-]c1.c1cc[n-]c1
InChIInChI=1S/C24H18O.2C19H16O.3C12H17N.2C9H9F3O.C8H9N.C6H8N.4C5H10.2C4H4N.4Mo/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;2*1-8(13,9(10,11)12)7-5-3-2-4-6-7;1-6-4-3-5-7(2)8(6)9;1-5-3-4-6(2)7-5;4*1-5(2,3)4;2*1-2-4-5-3-1;;;;/h1-17,25H;2*2-13,20H,1H3;3*5-9H,1-4H3;2*2-6,13H,1H3;3-5H,1-2H3;3-4H,1-2H3;4*1H,2-4H3;2*1-4H;;;;/q;;;;;;;;;-1;;;;;2*-1;;;;
InChIKeyQHOXUVIDJIARML-UHFFFAOYSA-N
MW2759.00 g/mol
LogP45.01
Rot. Bonds19

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

(2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum;tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,5-dimethylpyrrol-1-ide;bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide);bis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol (PubChem CID 159253708) has the molecular formula C158H184F6Mo4N7O5-3 and a molecular weight of 2759.00 g/mol. Its IUPAC name is (2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum;tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,5-dimethylpyrrol-1-ide;bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide);bis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol.

Molecular Properties

Compound Name(2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum;tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,5-dimethylpyrrol-1-ide;bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide);bis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol
PubChem CID159253708
Molecular FormulaC158H184F6Mo4N7O5-3
Molecular Weight2759.00 g/mol
Exact Mass2765.05
IUPAC Name(2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum;tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,5-dimethylpyrrol-1-ide;bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide);bis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol
SMILESCC(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.Cc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1.Cc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1.Cc1ccc(C)[n-]1.Cc1cccc(C)c1N=[Mo]=CC(C)(C)C.Oc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.c1cc[n-]c1.c1cc[n-]c1
InChIInChI=1S/C24H18O.2C19H16O.3C12H17N.2C9H9F3O.C8H9N.C6H8N.4C5H10.2C4H4N.4Mo/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;2*1-8(13,9(10,11)12)7-5-3-2-4-6-7;1-6-4-3-5-7(2)8(6)9;1-5-3-4-6(2)7-5;4*1-5(2,3)4;2*1-2-4-5-3-1;;;;/h1-17,25H;2*2-13,20H,1H3;3*5-9H,1-4H3;2*2-6,13H,1H3;3-5H,1-2H3;3-4H,1-2H3;4*1H,2-4H3;2*1-4H;;;;/q;;;;;;;;;-1;;;;;2*-1;;;;
InChIKeyQHOXUVIDJIARML-UHFFFAOYSA-N
XLogP45.01
TPSA192.89 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms180
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002759.00
LogP ≤ 545.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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

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Related Compounds

2,5-Dimethylpyrrol-1-ide;4-methyl-2,6-diphenylphenol;(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum
CID 140656844
Bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);bis(2,5-dimethylpyrrol-1-ide);1-(2,3-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-methyl-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 157257763
2-[[3,5-Bis(trifluoromethyl)phenyl]iminomethyl]-6-phenylphenol;tetrakis(dichlorotitanium);2-[(3,5-dimethylphenyl)iminomethyl]-6-phenylphenol;4-fluoro-2-phenyl-6-(pyrrol-1-yliminomethyl)phenol;2-phenyl-6-(pyrrol-1-yliminomethyl)phenol
CID 157387790
Bis((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum);2,5-dimethylpyrrol-1-ide;bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;pyrrol-1-ide;pentakis(1,1,1-trifluoro-2-phenylpropan-2-ol)
CID 157515611
2-(3-Tert-butyl-5-methylphenyl)-6-(3,5-ditert-butylphenyl)phenol;bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);bis(2,5-dimethylpyrrol-1-ide);(2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum;tris(1,1,1-trifluoro-2-methylpropan-2-ol)
CID 157537740
carbanide;2,5-dimethyl-1H-pyrrole;bis(2,5-dimethylpyrrol-1-ide);bis(2,6-di(propan-2-yl)phenol);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);methane;tris(1,1,1-trifluoro-2-methylpropan-2-ol)
CID 157562260
Bis((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum);2,5-dimethylpyrrol-1-ide;bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-methyl-2,6-diphenylphenol;pyrrol-1-ide;pentakis(1,1,1-trifluoro-2-phenylpropan-2-ol)
CID 157800104
1,4-Dimethylcyclopentene;2,5-dimethylpyrrol-1-ide;[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);8-(8-methylnaphthalen-1-yl)naphthalen-1-ol;2-methylpropan-2-ol;bis(1,1,1-trifluoro-2-methylpropan-2-ol)
CID 157824348
2-(3-Tert-butylphenyl)-6-(3-methylphenyl)phenol;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,5-dimethylpyrrol-1-ide;ethylidene-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum;methane;bis(2-methylpropane);bis(1,1,1-trifluoro-2-methylpropan-2-ol)
CID 158072597
1-Adamantylimino(2,2-dimethylpropylidene)molybdenum;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);bis(4-methyl-2,6-diphenylphenol);bis(9-phenylfluoren-9-ol);bis(pyrrol-1-ide);pentakis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol
CID 158229107
Bis(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;bis(2,5-dimethylpyrrol-1-ide);1-(2,3-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-ol;2,6-diphenylphenol;2-[4-methyl-2,6-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol;pyrrol-1-ide
CID 158387029
(2,6-Dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,5-dimethylpyrrol-1-ide;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;pyrrol-1-ide;tris(1,1,1-trifluoro-2-phenylpropan-2-ol)
CID 158799679

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum;tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,5-dimethylpyrrol-1-ide;bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide);bis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol?
The IUPAC name of (2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum;tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,5-dimethylpyrrol-1-ide;bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide);bis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol (CID 159253708) is (2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum;tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,5-dimethylpyrrol-1-ide;bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide);bis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol.
What is the SMILES notation for (2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum;tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,5-dimethylpyrrol-1-ide;bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide);bis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol?
The canonical SMILES for (2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum;tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,5-dimethylpyrrol-1-ide;bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide);bis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol is 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.Cc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1.Cc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1.Cc1ccc(C)[n-]1.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 (2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum;tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,5-dimethylpyrrol-1-ide;bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide);bis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol?
The InChIKey is QHOXUVIDJIARML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O.2C19H16O.3C12H17N.2C9H9F3O.C8H9N.C6H8N.4C5H10.2C4H4N.4Mo/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;2*1-8(13,9(10,11)12)7-5-3-2-4-6-7;1-6-4-3-5-7(2)8(6)9;1-5-3-4-6(2)7-5;4*1-5(2,3)4;2*1-2-4-5-3-1;;;;/h1-17,25H;2*2-13,20H,1H3;3*5-9H,1-4H3;2*2-6,13H,1H3;3-5H,1-2H3;3-4H,1-2H3;4*1H,2-4H3;2*1-4H;;;;/q;;;;;;;;;-1;;;;;2*-1;;;;.
What are the key properties of (2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum;tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,5-dimethylpyrrol-1-ide;bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide);bis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol?
(2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum;tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,5-dimethylpyrrol-1-ide;bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide);bis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol has a molecular weight of 2759.00 g/mol, XLogP of 45.01, 19 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum;tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,5-dimethylpyrrol-1-ide;bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide);bis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol is sourced from PubChem (CID 159253708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).