bis(2,5-dimethylpyrrol-1-ide);tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol);4-fluoro-2,6-diphenylphenol;pyrrol-1-ide;bis(1,1,1-trifluoro-2-phenylpropan-2-ol)

C188H217F9Mo4N7O5-3 — CID 162193446

IUPACbis(2,5-dimethylpyrrol-1-ide);tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol);4-fluoro-2,6-diphenylphenol;pyrrol-1-ide;bis(1,1,1-trifluoro-2-phenylpropan-2-ol)
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.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.CC(O)(c1ccccc1)C(F)(F)F.CC(O)(c1ccccc1)C(F)(F)F.Cc1cc(C)c(-c2cc(F)cc(-c3c(C)cc(C)cc3C)c2O)c(C)c1.Cc1cc(C)c(-c2cc(F)cc(-c3c(C)cc(C)cc3C)c2O)c(C)c1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Oc1c(-c2ccccc2)cc(F)cc1-c1ccccc1.c1cc[n-]c1
InChIInChI=1S/2C24H25FO.C18H13FO.4C12H17N.4C10H12.2C9H9F3O.2C6H8N.C4H4N.4Mo/c2*1-13-7-15(3)22(16(4)8-13)20-11-19(25)12-21(24(20)26)23-17(5)9-14(2)10-18(23)6;19-15-11-16(13-7-3-1-4-8-13)18(20)17(12-15)14-9-5-2-6-10-14;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*1-8(13,9(10,11)12)7-5-3-2-4-6-7;2*1-5-3-4-6(2)7-5;1-2-4-5-3-1;;;;/h2*7-12,26H,1-6H3;1-12,20H;4*5-9H,1-4H3;4*1,4-8H,2-3H3;2*2-6,13H,1H3;2*3-4H,1-2H3;1-4H;;;;/q;;;;;;;;;;;;;3*-1;;;;
InChIKeyVKXYLAIHQMJUKA-UHFFFAOYSA-N
MW3209.59 g/mol
LogP52.82
Rot. Bonds28

About bis(2,5-dimethylpyrrol-1-ide);tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol);4-fluoro-2,6-diphenylphenol;pyrrol-1-ide;bis(1,1,1-trifluoro-2-phenylpropan-2-ol)

bis(2,5-dimethylpyrrol-1-ide);tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol);4-fluoro-2,6-diphenylphenol;pyrrol-1-ide;bis(1,1,1-trifluoro-2-phenylpropan-2-ol) (PubChem CID 162193446) has the molecular formula C188H217F9Mo4N7O5-3 and a molecular weight of 3209.59 g/mol. Its IUPAC name is bis(2,5-dimethylpyrrol-1-ide);tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol);4-fluoro-2,6-diphenylphenol;pyrrol-1-ide;bis(1,1,1-trifluoro-2-phenylpropan-2-ol).

Molecular Properties

Compound Namebis(2,5-dimethylpyrrol-1-ide);tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol);4-fluoro-2,6-diphenylphenol;pyrrol-1-ide;bis(1,1,1-trifluoro-2-phenylpropan-2-ol)
PubChem CID162193446
Molecular FormulaC188H217F9Mo4N7O5-3
Molecular Weight3209.59 g/mol
Exact Mass3215.30
IUPAC Namebis(2,5-dimethylpyrrol-1-ide);tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol);4-fluoro-2,6-diphenylphenol;pyrrol-1-ide;bis(1,1,1-trifluoro-2-phenylpropan-2-ol)
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.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.CC(O)(c1ccccc1)C(F)(F)F.CC(O)(c1ccccc1)C(F)(F)F.Cc1cc(C)c(-c2cc(F)cc(-c3c(C)cc(C)cc3C)c2O)c(C)c1.Cc1cc(C)c(-c2cc(F)cc(-c3c(C)cc(C)cc3C)c2O)c(C)c1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Oc1c(-c2ccccc2)cc(F)cc1-c1ccccc1.c1cc[n-]c1
InChIInChI=1S/2C24H25FO.C18H13FO.4C12H17N.4C10H12.2C9H9F3O.2C6H8N.C4H4N.4Mo/c2*1-13-7-15(3)22(16(4)8-13)20-11-19(25)12-21(24(20)26)23-17(5)9-14(2)10-18(23)6;19-15-11-16(13-7-3-1-4-8-13)18(20)17(12-15)14-9-5-2-6-10-14;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*1-8(13,9(10,11)12)7-5-3-2-4-6-7;2*1-5-3-4-6(2)7-5;1-2-4-5-3-1;;;;/h2*7-12,26H,1-6H3;1-12,20H;4*5-9H,1-4H3;4*1,4-8H,2-3H3;2*2-6,13H,1H3;2*3-4H,1-2H3;1-4H;;;;/q;;;;;;;;;;;;;3*-1;;;;
InChIKeyVKXYLAIHQMJUKA-UHFFFAOYSA-N
XLogP52.82
TPSA192.89 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds28
Heavy Atoms213
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003209.59
LogP ≤ 552.82
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze bis(2,5-dimethylpyrrol-1-ide);tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol);4-fluoro-2,6-diphenylphenol;pyrrol-1-ide;bis(1,1,1-trifluoro-2-phenylpropan-2-ol) with MolForge

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Related Compounds

(2,5-Dimethyl-1H-pyrrol-1-yl)(2,2'',4,4'',6,6''-hexamethyl[1,1':3',1''-terphenyl]-2'-olato)(2-methyl-2-phenylpropylidene)[2,3,4,5,6-pentafluorobenzenaminato(2-)-kappaN],(T-4) molybdenum(VI), paraffin pellets
CID 134951492
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
1-Adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum(2+);bis([3,5-bis(trifluoromethyl)phenyl]-(3,5-dimethylphenyl)-bis[3-methyl-5-(trifluoromethyl)phenyl]boranuide);tris(2,5-dimethylpyrrol-1-ide);bis([4-hydroxy-3,5-bis(2,4,6-trimethylphenyl)phenyl]-triphenylphosphanium)
CID 157953536
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-methyl-2-phenylpropylidene)molybdenum;4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;bis(4-bromo-2,6-diphenylphenol);tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;4-fluoro-2,6-diphenylphenol;(2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum;(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;pyrrol-1-ide
CID 158137019
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

Frequently Asked Questions

What is the IUPAC name of bis(2,5-dimethylpyrrol-1-ide);tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol);4-fluoro-2,6-diphenylphenol;pyrrol-1-ide;bis(1,1,1-trifluoro-2-phenylpropan-2-ol)?
The IUPAC name of bis(2,5-dimethylpyrrol-1-ide);tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol);4-fluoro-2,6-diphenylphenol;pyrrol-1-ide;bis(1,1,1-trifluoro-2-phenylpropan-2-ol) (CID 162193446) is bis(2,5-dimethylpyrrol-1-ide);tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol);4-fluoro-2,6-diphenylphenol;pyrrol-1-ide;bis(1,1,1-trifluoro-2-phenylpropan-2-ol).
What is the SMILES notation for bis(2,5-dimethylpyrrol-1-ide);tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol);4-fluoro-2,6-diphenylphenol;pyrrol-1-ide;bis(1,1,1-trifluoro-2-phenylpropan-2-ol)?
The canonical SMILES for bis(2,5-dimethylpyrrol-1-ide);tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol);4-fluoro-2,6-diphenylphenol;pyrrol-1-ide;bis(1,1,1-trifluoro-2-phenylpropan-2-ol) 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.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.CC(O)(c1ccccc1)C(F)(F)F.CC(O)(c1ccccc1)C(F)(F)F.Cc1cc(C)c(-c2cc(F)cc(-c3c(C)cc(C)cc3C)c2O)c(C)c1.Cc1cc(C)c(-c2cc(F)cc(-c3c(C)cc(C)cc3C)c2O)c(C)c1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Oc1c(-c2ccccc2)cc(F)cc1-c1ccccc1.c1cc[n-]c1.
What is the InChIKey of bis(2,5-dimethylpyrrol-1-ide);tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol);4-fluoro-2,6-diphenylphenol;pyrrol-1-ide;bis(1,1,1-trifluoro-2-phenylpropan-2-ol)?
The InChIKey is VKXYLAIHQMJUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H25FO.C18H13FO.4C12H17N.4C10H12.2C9H9F3O.2C6H8N.C4H4N.4Mo/c2*1-13-7-15(3)22(16(4)8-13)20-11-19(25)12-21(24(20)26)23-17(5)9-14(2)10-18(23)6;19-15-11-16(13-7-3-1-4-8-13)18(20)17(12-15)14-9-5-2-6-10-14;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*1-8(13,9(10,11)12)7-5-3-2-4-6-7;2*1-5-3-4-6(2)7-5;1-2-4-5-3-1;;;;/h2*7-12,26H,1-6H3;1-12,20H;4*5-9H,1-4H3;4*1,4-8H,2-3H3;2*2-6,13H,1H3;2*3-4H,1-2H3;1-4H;;;;/q;;;;;;;;;;;;;3*-1;;;;.
What are the key properties of bis(2,5-dimethylpyrrol-1-ide);tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol);4-fluoro-2,6-diphenylphenol;pyrrol-1-ide;bis(1,1,1-trifluoro-2-phenylpropan-2-ol)?
bis(2,5-dimethylpyrrol-1-ide);tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol);4-fluoro-2,6-diphenylphenol;pyrrol-1-ide;bis(1,1,1-trifluoro-2-phenylpropan-2-ol) has a molecular weight of 3209.59 g/mol, XLogP of 52.82, 28 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,5-dimethylpyrrol-1-ide);tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol);4-fluoro-2,6-diphenylphenol;pyrrol-1-ide;bis(1,1,1-trifluoro-2-phenylpropan-2-ol) is sourced from PubChem (CID 162193446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).