tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten);4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;4-fluoro-2,6-diphenylphenol;4-methyl-2,6-diphenylphenol;tetrakis(pyrrol-1-ide);2,4,6-triphenylphenol

C169H196F2N8O4W4-4 — CID 157427263

IUPACtetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten);4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;4-fluoro-2,6-diphenylphenol;4-methyl-2,6-diphenylphenol;tetrakis(pyrrol-1-ide);2,4,6-triphenylphenol
SMILESCC(C)c1cccc(C(C)C)c1N=[W]=CC(C)(C)C.CC(C)c1cccc(C(C)C)c1N=[W]=CC(C)(C)C.CC(C)c1cccc(C(C)C)c1N=[W]=CC(C)(C)C.CC(C)c1cccc(C(C)C)c1N=[W]=CC(C)(C)C.Cc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1.Cc1cc(C)c(-c2cc(F)cc(-c3c(C)cc(C)cc3C)c2O)c(C)c1.Oc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.Oc1c(-c2ccccc2)cc(F)cc1-c1ccccc1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1
InChIInChI=1S/C24H25FO.C24H18O.C19H16O.C18H13FO.4C12H17N.4C5H10.4C4H4N.4W/c1-13-7-15(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;25-24-22(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;1-14-12-17(15-8-4-2-5-9-15)19(20)18(13-14)16-10-6-3-7-11-16;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*1-5(2,3)4;4*1-2-4-5-3-1;;;;/h7-12,26H,1-6H3;1-17,25H;2-13,20H,1H3;1-12,20H;4*5-9H,1-4H3;4*1H,2-4H3;4*1-4H;;;;/q;;;;;;;;;;;;4*-1;;;;
InChIKeySMVVKSGQPPXKKI-UHFFFAOYSA-N
MW3176.83 g/mol
LogP48.30
Rot. Bonds21

About tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten);4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;4-fluoro-2,6-diphenylphenol;4-methyl-2,6-diphenylphenol;tetrakis(pyrrol-1-ide);2,4,6-triphenylphenol

tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten);4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;4-fluoro-2,6-diphenylphenol;4-methyl-2,6-diphenylphenol;tetrakis(pyrrol-1-ide);2,4,6-triphenylphenol (PubChem CID 157427263) has the molecular formula C169H196F2N8O4W4-4 and a molecular weight of 3176.83 g/mol. Its IUPAC name is tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten);4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;4-fluoro-2,6-diphenylphenol;4-methyl-2,6-diphenylphenol;tetrakis(pyrrol-1-ide);2,4,6-triphenylphenol.

Molecular Properties

Compound Nametetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten);4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;4-fluoro-2,6-diphenylphenol;4-methyl-2,6-diphenylphenol;tetrakis(pyrrol-1-ide);2,4,6-triphenylphenol
PubChem CID157427263
Molecular FormulaC169H196F2N8O4W4-4
Molecular Weight3176.83 g/mol
Exact Mass3175.34
IUPAC Nametetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten);4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;4-fluoro-2,6-diphenylphenol;4-methyl-2,6-diphenylphenol;tetrakis(pyrrol-1-ide);2,4,6-triphenylphenol
SMILESCC(C)c1cccc(C(C)C)c1N=[W]=CC(C)(C)C.CC(C)c1cccc(C(C)C)c1N=[W]=CC(C)(C)C.CC(C)c1cccc(C(C)C)c1N=[W]=CC(C)(C)C.CC(C)c1cccc(C(C)C)c1N=[W]=CC(C)(C)C.Cc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1.Cc1cc(C)c(-c2cc(F)cc(-c3c(C)cc(C)cc3C)c2O)c(C)c1.Oc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.Oc1c(-c2ccccc2)cc(F)cc1-c1ccccc1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1
InChIInChI=1S/C24H25FO.C24H18O.C19H16O.C18H13FO.4C12H17N.4C5H10.4C4H4N.4W/c1-13-7-15(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;25-24-22(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;1-14-12-17(15-8-4-2-5-9-15)19(20)18(13-14)16-10-6-3-7-11-16;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*1-5(2,3)4;4*1-2-4-5-3-1;;;;/h7-12,26H,1-6H3;1-17,25H;2-13,20H,1H3;1-12,20H;4*5-9H,1-4H3;4*1H,2-4H3;4*1-4H;;;;/q;;;;;;;;;;;;4*-1;;;;
InChIKeySMVVKSGQPPXKKI-UHFFFAOYSA-N
XLogP48.30
TPSA186.76 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds21
Heavy Atoms187
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003176.83
LogP ≤ 548.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten);4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;4-fluoro-2,6-diphenylphenol;4-methyl-2,6-diphenylphenol;tetrakis(pyrrol-1-ide);2,4,6-triphenylphenol with MolForge

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Related Compounds

(TB-5-13)-[2,6-Bis(1-methylethyl)benzenaminato(2-)][2,2'',4,4'',6,6''-hexakis(1-methylethyl)[1,1':3',1''-terphenyl]-2'-olato]-1,3-propanediyl-1H-pyrrol-1-yltungsten
CID 58460813
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
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-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
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
(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
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
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
4-Bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;4-bromo-2,6-diphenylphenol;bis(2,5-dimethylpyrrol-1-ide);2,6-di(propan-2-yl)aniline;tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-fluoro-2,6-diphenylphenol;(2-methyl-2-phenylpropylidene)molybdenum;bis(pyrrol-1-ide);1,1,1-trifluoro-2-phenylpropan-2-ol
CID 159005557
2,6-Ditert-butyl-4-methylphenol;bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);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;bis(pyrrol-1-ide);tris(1,1,1-trifluoro-2-methylpropan-2-ol)
CID 159060662
(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

Frequently Asked Questions

What is the IUPAC name of tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten);4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;4-fluoro-2,6-diphenylphenol;4-methyl-2,6-diphenylphenol;tetrakis(pyrrol-1-ide);2,4,6-triphenylphenol?
The IUPAC name of tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten);4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;4-fluoro-2,6-diphenylphenol;4-methyl-2,6-diphenylphenol;tetrakis(pyrrol-1-ide);2,4,6-triphenylphenol (CID 157427263) is tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten);4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;4-fluoro-2,6-diphenylphenol;4-methyl-2,6-diphenylphenol;tetrakis(pyrrol-1-ide);2,4,6-triphenylphenol.
What is the SMILES notation for tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten);4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;4-fluoro-2,6-diphenylphenol;4-methyl-2,6-diphenylphenol;tetrakis(pyrrol-1-ide);2,4,6-triphenylphenol?
The canonical SMILES for tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten);4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;4-fluoro-2,6-diphenylphenol;4-methyl-2,6-diphenylphenol;tetrakis(pyrrol-1-ide);2,4,6-triphenylphenol is CC(C)c1cccc(C(C)C)c1N=[W]=CC(C)(C)C.CC(C)c1cccc(C(C)C)c1N=[W]=CC(C)(C)C.CC(C)c1cccc(C(C)C)c1N=[W]=CC(C)(C)C.CC(C)c1cccc(C(C)C)c1N=[W]=CC(C)(C)C.Cc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1.Cc1cc(C)c(-c2cc(F)cc(-c3c(C)cc(C)cc3C)c2O)c(C)c1.Oc1c(-c2ccccc2)cc(-c2ccccc2)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 tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten);4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;4-fluoro-2,6-diphenylphenol;4-methyl-2,6-diphenylphenol;tetrakis(pyrrol-1-ide);2,4,6-triphenylphenol?
The InChIKey is SMVVKSGQPPXKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FO.C24H18O.C19H16O.C18H13FO.4C12H17N.4C5H10.4C4H4N.4W/c1-13-7-15(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;25-24-22(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;1-14-12-17(15-8-4-2-5-9-15)19(20)18(13-14)16-10-6-3-7-11-16;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*1-5(2,3)4;4*1-2-4-5-3-1;;;;/h7-12,26H,1-6H3;1-17,25H;2-13,20H,1H3;1-12,20H;4*5-9H,1-4H3;4*1H,2-4H3;4*1-4H;;;;/q;;;;;;;;;;;;4*-1;;;;.
What are the key properties of tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten);4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;4-fluoro-2,6-diphenylphenol;4-methyl-2,6-diphenylphenol;tetrakis(pyrrol-1-ide);2,4,6-triphenylphenol?
tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten);4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;4-fluoro-2,6-diphenylphenol;4-methyl-2,6-diphenylphenol;tetrakis(pyrrol-1-ide);2,4,6-triphenylphenol has a molecular weight of 3176.83 g/mol, XLogP of 48.30, 21 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten);4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;4-fluoro-2,6-diphenylphenol;4-methyl-2,6-diphenylphenol;tetrakis(pyrrol-1-ide);2,4,6-triphenylphenol is sourced from PubChem (CID 157427263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).