bis(2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol);4-bromo-2,6-diphenylphenol;2,5-dimethylpyrrol-1-ide;bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;bis(pyrrol-1-ide)

C165H203BrF3MoN6O3W2-3 — CID 158878794

IUPACbis(2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol);4-bromo-2,6-diphenylphenol;2,5-dimethylpyrrol-1-ide;bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;bis(pyrrol-1-ide)
SMILESCC(C)(C=[Mo]=Nc1ccccc1C(F)(F)F)c1ccccc1.CC(C)c1cc(C(C)C)c(-c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2O)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(-c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2O)c(C(C)C)c1.CC(C)c1cccc(C(C)C)c1N=[W]=CC(C)(C)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[W]=CC(C)(C)c1ccccc1.Cc1ccc(C)[n-]1.Oc1c(-c2ccccc2)cc(Br)cc1-c1ccccc1.c1cc[n-]c1.c1cc[n-]c1
InChIInChI=1S/2C36H50O.C18H13BrO.2C12H17N.3C10H12.C7H4F3N.C6H8N.2C4H4N.Mo.2W/c2*1-20(2)26-16-30(22(5)6)34(31(17-26)23(7)8)28-14-13-15-29(36(28)37)35-32(24(9)10)18-27(21(3)4)19-33(35)25(11)12;19-15-11-16(13-7-3-1-4-8-13)18(20)17(12-15)14-9-5-2-6-10-14;2*1-8(2)10-6-5-7-11(9(3)4)12(10)13;3*1-10(2,3)9-7-5-4-6-8-9;8-7(9,10)5-3-1-2-4-6(5)11;1-5-3-4-6(2)7-5;2*1-2-4-5-3-1;;;/h2*13-25,37H,1-12H3;1-12,20H;2*5-9H,1-4H3;3*1,4-8H,2-3H3;1-4H;3-4H,1-2H3;2*1-4H;;;/q;;;;;;;;;3*-1;;;
InChIKeyKJCSOBAGJOTETQ-UHFFFAOYSA-N
MW2919.00 g/mol
LogP49.58
Rot. Bonds31

About bis(2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol);4-bromo-2,6-diphenylphenol;2,5-dimethylpyrrol-1-ide;bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;bis(pyrrol-1-ide)

bis(2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol);4-bromo-2,6-diphenylphenol;2,5-dimethylpyrrol-1-ide;bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;bis(pyrrol-1-ide) (PubChem CID 158878794) has the molecular formula C165H203BrF3MoN6O3W2-3 and a molecular weight of 2919.00 g/mol. Its IUPAC name is bis(2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol);4-bromo-2,6-diphenylphenol;2,5-dimethylpyrrol-1-ide;bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;bis(pyrrol-1-ide).

Molecular Properties

Compound Namebis(2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol);4-bromo-2,6-diphenylphenol;2,5-dimethylpyrrol-1-ide;bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;bis(pyrrol-1-ide)
PubChem CID158878794
Molecular FormulaC165H203BrF3MoN6O3W2-3
Molecular Weight2919.00 g/mol
Exact Mass2918.31
IUPAC Namebis(2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol);4-bromo-2,6-diphenylphenol;2,5-dimethylpyrrol-1-ide;bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;bis(pyrrol-1-ide)
SMILESCC(C)(C=[Mo]=Nc1ccccc1C(F)(F)F)c1ccccc1.CC(C)c1cc(C(C)C)c(-c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2O)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(-c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2O)c(C(C)C)c1.CC(C)c1cccc(C(C)C)c1N=[W]=CC(C)(C)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[W]=CC(C)(C)c1ccccc1.Cc1ccc(C)[n-]1.Oc1c(-c2ccccc2)cc(Br)cc1-c1ccccc1.c1cc[n-]c1.c1cc[n-]c1
InChIInChI=1S/2C36H50O.C18H13BrO.2C12H17N.3C10H12.C7H4F3N.C6H8N.2C4H4N.Mo.2W/c2*1-20(2)26-16-30(22(5)6)34(31(17-26)23(7)8)28-14-13-15-29(36(28)37)35-32(24(9)10)18-27(21(3)4)19-33(35)25(11)12;19-15-11-16(13-7-3-1-4-8-13)18(20)17(12-15)14-9-5-2-6-10-14;2*1-8(2)10-6-5-7-11(9(3)4)12(10)13;3*1-10(2,3)9-7-5-4-6-8-9;8-7(9,10)5-3-1-2-4-6(5)11;1-5-3-4-6(2)7-5;2*1-2-4-5-3-1;;;/h2*13-25,37H,1-12H3;1-12,20H;2*5-9H,1-4H3;3*1,4-8H,2-3H3;1-4H;3-4H,1-2H3;2*1-4H;;;/q;;;;;;;;;3*-1;;;
InChIKeyKJCSOBAGJOTETQ-UHFFFAOYSA-N
XLogP49.58
TPSA140.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds31
Heavy Atoms181
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002919.00
LogP ≤ 549.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze bis(2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol);4-bromo-2,6-diphenylphenol;2,5-dimethylpyrrol-1-ide;bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;bis(pyrrol-1-ide) 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
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
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
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
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
4-Bromo-2,3,5,6-tetraphenylphenol;bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;2,3,5,6-tetraphenylphenol;tris(1,1,1-trifluoro-2-methylpropan-2-ol)
CID 157944796
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
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
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
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
Bis(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis(4-bromo-2,6-diphenylphenol);tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;hexakis(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 158721602

Frequently Asked Questions

What is the IUPAC name of bis(2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol);4-bromo-2,6-diphenylphenol;2,5-dimethylpyrrol-1-ide;bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;bis(pyrrol-1-ide)?
The IUPAC name of bis(2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol);4-bromo-2,6-diphenylphenol;2,5-dimethylpyrrol-1-ide;bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;bis(pyrrol-1-ide) (CID 158878794) is bis(2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol);4-bromo-2,6-diphenylphenol;2,5-dimethylpyrrol-1-ide;bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;bis(pyrrol-1-ide).
What is the SMILES notation for bis(2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol);4-bromo-2,6-diphenylphenol;2,5-dimethylpyrrol-1-ide;bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;bis(pyrrol-1-ide)?
The canonical SMILES for bis(2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol);4-bromo-2,6-diphenylphenol;2,5-dimethylpyrrol-1-ide;bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;bis(pyrrol-1-ide) is CC(C)(C=[Mo]=Nc1ccccc1C(F)(F)F)c1ccccc1.CC(C)c1cc(C(C)C)c(-c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2O)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(-c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2O)c(C(C)C)c1.CC(C)c1cccc(C(C)C)c1N=[W]=CC(C)(C)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[W]=CC(C)(C)c1ccccc1.Cc1ccc(C)[n-]1.Oc1c(-c2ccccc2)cc(Br)cc1-c1ccccc1.c1cc[n-]c1.c1cc[n-]c1.
What is the InChIKey of bis(2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol);4-bromo-2,6-diphenylphenol;2,5-dimethylpyrrol-1-ide;bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;bis(pyrrol-1-ide)?
The InChIKey is KJCSOBAGJOTETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C36H50O.C18H13BrO.2C12H17N.3C10H12.C7H4F3N.C6H8N.2C4H4N.Mo.2W/c2*1-20(2)26-16-30(22(5)6)34(31(17-26)23(7)8)28-14-13-15-29(36(28)37)35-32(24(9)10)18-27(21(3)4)19-33(35)25(11)12;19-15-11-16(13-7-3-1-4-8-13)18(20)17(12-15)14-9-5-2-6-10-14;2*1-8(2)10-6-5-7-11(9(3)4)12(10)13;3*1-10(2,3)9-7-5-4-6-8-9;8-7(9,10)5-3-1-2-4-6(5)11;1-5-3-4-6(2)7-5;2*1-2-4-5-3-1;;;/h2*13-25,37H,1-12H3;1-12,20H;2*5-9H,1-4H3;3*1,4-8H,2-3H3;1-4H;3-4H,1-2H3;2*1-4H;;;/q;;;;;;;;;3*-1;;;.
What are the key properties of bis(2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol);4-bromo-2,6-diphenylphenol;2,5-dimethylpyrrol-1-ide;bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;bis(pyrrol-1-ide)?
bis(2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol);4-bromo-2,6-diphenylphenol;2,5-dimethylpyrrol-1-ide;bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;bis(pyrrol-1-ide) has a molecular weight of 2919.00 g/mol, XLogP of 49.58, 31 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol);4-bromo-2,6-diphenylphenol;2,5-dimethylpyrrol-1-ide;bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;bis(pyrrol-1-ide) is sourced from PubChem (CID 158878794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).