4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;4-bromo-2,6-diphenylphenol;tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-fluoro-2,6-diphenylphenol;tetrakis(pyrrol-1-ide);1,1,1-trifluoro-2-phenylpropan-2-ol

C179H186Br4F4Mo4N8O4-4 — CID 158691985

IUPAC4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;4-bromo-2,6-diphenylphenol;tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-fluoro-2,6-diphenylphenol;tetrakis(pyrrol-1-ide);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.Oc1c(-c2ccc(Br)cc2)c(-c2ccccc2)c(Br)c(-c2ccccc2)c1-c1ccc(Br)cc1.Oc1c(-c2ccccc2)cc(Br)cc1-c1ccccc1.Oc1c(-c2ccccc2)cc(F)cc1-c1ccccc1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1
InChIInChI=1S/C30H19Br3O.C18H13BrO.C18H13FO.4C12H17N.4C10H12.C9H9F3O.4C4H4N.4Mo/c31-23-15-11-21(12-16-23)27-25(19-7-3-1-4-8-19)29(33)26(20-9-5-2-6-10-20)28(30(27)34)22-13-17-24(32)18-14-22;2*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;1-8(13,9(10,11)12)7-5-3-2-4-6-7;4*1-2-4-5-3-1;;;;/h1-18,34H;2*1-12,20H;4*5-9H,1-4H3;4*1,4-8H,2-3H3;2-6,13H,1H3;4*1-4H;;;;/q;;;;;;;;;;;;4*-1;;;;
InChIKeyMUDCDDSJNYTJLU-UHFFFAOYSA-N
MW3292.88 g/mol
LogP52.18
Rot. Bonds29

About 4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;4-bromo-2,6-diphenylphenol;tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-fluoro-2,6-diphenylphenol;tetrakis(pyrrol-1-ide);1,1,1-trifluoro-2-phenylpropan-2-ol

4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;4-bromo-2,6-diphenylphenol;tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-fluoro-2,6-diphenylphenol;tetrakis(pyrrol-1-ide);1,1,1-trifluoro-2-phenylpropan-2-ol (PubChem CID 158691985) has the molecular formula C179H186Br4F4Mo4N8O4-4 and a molecular weight of 3292.88 g/mol. Its IUPAC name is 4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;4-bromo-2,6-diphenylphenol;tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-fluoro-2,6-diphenylphenol;tetrakis(pyrrol-1-ide);1,1,1-trifluoro-2-phenylpropan-2-ol.

Molecular Properties

Compound Name4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;4-bromo-2,6-diphenylphenol;tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-fluoro-2,6-diphenylphenol;tetrakis(pyrrol-1-ide);1,1,1-trifluoro-2-phenylpropan-2-ol
PubChem CID158691985
Molecular FormulaC179H186Br4F4Mo4N8O4-4
Molecular Weight3292.88 g/mol
Exact Mass3294.75
IUPAC Name4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;4-bromo-2,6-diphenylphenol;tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-fluoro-2,6-diphenylphenol;tetrakis(pyrrol-1-ide);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.Oc1c(-c2ccc(Br)cc2)c(-c2ccccc2)c(Br)c(-c2ccccc2)c1-c1ccc(Br)cc1.Oc1c(-c2ccccc2)cc(Br)cc1-c1ccccc1.Oc1c(-c2ccccc2)cc(F)cc1-c1ccccc1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1
InChIInChI=1S/C30H19Br3O.C18H13BrO.C18H13FO.4C12H17N.4C10H12.C9H9F3O.4C4H4N.4Mo/c31-23-15-11-21(12-16-23)27-25(19-7-3-1-4-8-19)29(33)26(20-9-5-2-6-10-20)28(30(27)34)22-13-17-24(32)18-14-22;2*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;1-8(13,9(10,11)12)7-5-3-2-4-6-7;4*1-2-4-5-3-1;;;;/h1-18,34H;2*1-12,20H;4*5-9H,1-4H3;4*1,4-8H,2-3H3;2-6,13H,1H3;4*1-4H;;;;/q;;;;;;;;;;;;4*-1;;;;
InChIKeyMUDCDDSJNYTJLU-UHFFFAOYSA-N
XLogP52.18
TPSA186.76 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds29
Heavy Atoms203
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003292.88
LogP ≤ 552.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;4-bromo-2,6-diphenylphenol;tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-fluoro-2,6-diphenylphenol;tetrakis(pyrrol-1-ide);1,1,1-trifluoro-2-phenylpropan-2-ol with MolForge

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Related Compounds

4-Bromo-2,6-diphenylphenol;2,6-ditert-butyl-4-methylphenol;pentakis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,5-dimethylpyrrol-1-ide;4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;4-fluoro-2,6-diphenylphenol;pentakis(pyrrol-1-ide);1,1,1-trifluoro-2-methylpropan-2-ol;2,4,6-triphenylphenol
CID 157161017
4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;4-bromo-2,6-diphenylphenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,5-dimethyl-1H-pyrrole;bis(2,5-dimethylpyrrol-1-ide);2,6-di(propan-2-yl)aniline;bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);(2-methyl-2-phenylpropylidene)molybdenum;9-phenylfluoren-9-ol;pyrrol-1-ide;1,1,1-trifluoro-2-phenylpropan-2-ol
CID 157270874
Bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);4-bromo-2,3,5,6-tetraphenylphenol;bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminotungsten;tris(2,5-dimethylpyrrol-1-ide);methane
CID 157282856
3-Bromo-1-[3-bromo-2-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;tris((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum);tetrakis(2,5-dimethylpyrrol-1-ide);2,6-diphenylphenol;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;3-methyl-1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;2,3,5,6-tetraphenylphenol
CID 157341748
1-Adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;4-bromo-2,6-diphenylphenol;4-bromo-2,3,5,6-tetraphenylphenol;(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;tetrakis(2,5-dimethylpyrrol-1-ide);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);3-methyl-1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;2,3,5,6-tetraphenylphenol
CID 157737323
1-Adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;4-bromo-2,6-diphenylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten);pentakis(2,5-dimethylpyrrol-1-ide);bis(4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol);pyrrol-1-ide;bis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol
CID 158080724
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
3-Bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminomolybdenum;bis(2,5-dimethylpyrrol-1-ide);3-fluoro-1-(3-fluoro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;methane;(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum
CID 158148153
Bis(1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum);4-bromo-2,6-diphenylphenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;pyrrol-1-ide;bis(1,1,1-trifluoro-2-phenylpropan-2-ol)
CID 158279153
1-Adamantylimino(2,2-dimethylpropylidene)molybdenum;bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);bis(2,5-dimethylpyrrol-1-ide);1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;2-[4-methyl-2,6-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol;pyrrol-1-ide;1,1,1-trifluoro-2-methylpropan-2-ol
CID 158430533
1-Adamantylimino(2,2-dimethylpropylidene)molybdenum;bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);bis(2,5-dimethylpyrrol-1-ide);1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;1,1,1-trifluoro-2-methylpropan-2-ol
CID 158448680
2-Bromo-8-phenylnaphthalen-1-ol;4-bromo-2,3,5,6-tetraphenylphenol;bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminotungsten;bis(2,5-dimethylpyrrol-1-ide);bis(8-phenylnaphthalen-1-ol)
CID 158573418

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;4-bromo-2,6-diphenylphenol;tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-fluoro-2,6-diphenylphenol;tetrakis(pyrrol-1-ide);1,1,1-trifluoro-2-phenylpropan-2-ol?
The IUPAC name of 4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;4-bromo-2,6-diphenylphenol;tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-fluoro-2,6-diphenylphenol;tetrakis(pyrrol-1-ide);1,1,1-trifluoro-2-phenylpropan-2-ol (CID 158691985) is 4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;4-bromo-2,6-diphenylphenol;tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-fluoro-2,6-diphenylphenol;tetrakis(pyrrol-1-ide);1,1,1-trifluoro-2-phenylpropan-2-ol.
What is the SMILES notation for 4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;4-bromo-2,6-diphenylphenol;tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-fluoro-2,6-diphenylphenol;tetrakis(pyrrol-1-ide);1,1,1-trifluoro-2-phenylpropan-2-ol?
The canonical SMILES for 4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;4-bromo-2,6-diphenylphenol;tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-fluoro-2,6-diphenylphenol;tetrakis(pyrrol-1-ide);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.Oc1c(-c2ccc(Br)cc2)c(-c2ccccc2)c(Br)c(-c2ccccc2)c1-c1ccc(Br)cc1.Oc1c(-c2ccccc2)cc(Br)cc1-c1ccccc1.Oc1c(-c2ccccc2)cc(F)cc1-c1ccccc1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1.
What is the InChIKey of 4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;4-bromo-2,6-diphenylphenol;tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-fluoro-2,6-diphenylphenol;tetrakis(pyrrol-1-ide);1,1,1-trifluoro-2-phenylpropan-2-ol?
The InChIKey is MUDCDDSJNYTJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19Br3O.C18H13BrO.C18H13FO.4C12H17N.4C10H12.C9H9F3O.4C4H4N.4Mo/c31-23-15-11-21(12-16-23)27-25(19-7-3-1-4-8-19)29(33)26(20-9-5-2-6-10-20)28(30(27)34)22-13-17-24(32)18-14-22;2*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;1-8(13,9(10,11)12)7-5-3-2-4-6-7;4*1-2-4-5-3-1;;;;/h1-18,34H;2*1-12,20H;4*5-9H,1-4H3;4*1,4-8H,2-3H3;2-6,13H,1H3;4*1-4H;;;;/q;;;;;;;;;;;;4*-1;;;;.
What are the key properties of 4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;4-bromo-2,6-diphenylphenol;tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-fluoro-2,6-diphenylphenol;tetrakis(pyrrol-1-ide);1,1,1-trifluoro-2-phenylpropan-2-ol?
4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;4-bromo-2,6-diphenylphenol;tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-fluoro-2,6-diphenylphenol;tetrakis(pyrrol-1-ide);1,1,1-trifluoro-2-phenylpropan-2-ol has a molecular weight of 3292.88 g/mol, XLogP of 52.18, 29 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;4-bromo-2,6-diphenylphenol;tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-fluoro-2,6-diphenylphenol;tetrakis(pyrrol-1-ide);1,1,1-trifluoro-2-phenylpropan-2-ol is sourced from PubChem (CID 158691985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).