2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;pyrrol-1-ide

C51H67Cl2N2OW- — CID 58460819

IUPAC2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;pyrrol-1-ide
SMILESCC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.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.c1cc[n-]c1
InChIInChI=1S/C36H50O.C6H3Cl2N.C5H10.C4H4N.W/c1-20(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;7-4-2-1-3-5(8)6(4)9;1-5(2,3)4;1-2-4-5-3-1;/h13-25,37H,1-12H3;1-3H;1H,2-4H3;1-4H;/q;;;-1;
InChIKeyFTPPELVSASGYBS-UHFFFAOYSA-N
MW978.86 g/mol
LogP16.85
Rot. Bonds9

About 2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;pyrrol-1-ide

2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;pyrrol-1-ide (PubChem CID 58460819) has the molecular formula C51H67Cl2N2OW- and a molecular weight of 978.86 g/mol. Its IUPAC name is 2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;pyrrol-1-ide.

Molecular Properties

Compound Name2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;pyrrol-1-ide
PubChem CID58460819
Molecular FormulaC51H67Cl2N2OW-
Molecular Weight978.86 g/mol
Exact Mass977.41
IUPAC Name2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;pyrrol-1-ide
SMILESCC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.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.c1cc[n-]c1
InChIInChI=1S/C36H50O.C6H3Cl2N.C5H10.C4H4N.W/c1-20(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;7-4-2-1-3-5(8)6(4)9;1-5(2,3)4;1-2-4-5-3-1;/h13-25,37H,1-12H3;1-3H;1H,2-4H3;1-4H;/q;;;-1;
InChIKeyFTPPELVSASGYBS-UHFFFAOYSA-N
XLogP16.85
TPSA46.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500978.86
LogP ≤ 516.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;pyrrol-1-ide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
2,6-Bis(2,4,6-trimethylphenyl)phenol;tert-butylimino(2,2-dimethylpropylidene)tungsten;pyrrol-1-ide
CID 134953192
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-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
Bis(2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;tris(pyrrol-1-ide)
CID 159304278
Bis(2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminotungsten;tris(pyrrol-1-ide)
CID 160026317
1-Adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;bis(2,5-dimethylpyrrol-1-ide);4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;pyrrol-1-ide;bis(1,1,1-trifluoro-2-phenylpropan-2-ol)
CID 160469461
[2-Chloro-6-(trifluoromethyl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;bis(2,5-dimethylpyrrol-1-ide);tris(2,6-diphenylphenol);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;2-[2,4-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol;(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;2-methylpropane;bis(pyrrol-1-ide)
CID 160583133
(2,6-Dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;2,6-diphenylphenol;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;bis(2-[4-methyl-2,6-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;bis(pyrrol-1-ide)
CID 160923556
[3,5-Bis(trifluoromethyl)phenyl]-(3,5-dimethylphenyl)-bis[3-methyl-5-(trifluoromethyl)phenyl]boranuide;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;[4-hydroxy-3,5-bis(2,4,6-trimethylphenyl)phenyl]-triphenylphosphanium
CID 162032447
2,6-Ditert-butyl-4-methylphenol;bis((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;bis(pyrrol-1-ide);1,1,1-trifluoro-2-methylpropan-2-ol
CID 162225627
2,6-Bis[2,4,6-tri(propan-2-yl)phenyl]phenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide
CID 138976129

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;pyrrol-1-ide?
The IUPAC name of 2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;pyrrol-1-ide (CID 58460819) is 2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;pyrrol-1-ide.
What is the SMILES notation for 2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;pyrrol-1-ide?
The canonical SMILES for 2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;pyrrol-1-ide is CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.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.c1cc[n-]c1.
What is the InChIKey of 2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;pyrrol-1-ide?
The InChIKey is FTPPELVSASGYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H50O.C6H3Cl2N.C5H10.C4H4N.W/c1-20(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;7-4-2-1-3-5(8)6(4)9;1-5(2,3)4;1-2-4-5-3-1;/h13-25,37H,1-12H3;1-3H;1H,2-4H3;1-4H;/q;;;-1;.
What are the key properties of 2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;pyrrol-1-ide?
2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;pyrrol-1-ide has a molecular weight of 978.86 g/mol, XLogP of 16.85, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;pyrrol-1-ide is sourced from PubChem (CID 58460819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).