tris(bis(2,4,6-trimethylphenyl)methanol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum

C124H153Cl4MoN6O3W2-3 — CID 161383120

IUPACtris(bis(2,4,6-trimethylphenyl)methanol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum
SMILESCC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C=[W]=Nc1c(Cl)cccc1Cl)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.Cc1cc(C)c(C(O)c2c(C)cc(C)cc2C)c(C)c1.Cc1cc(C)c(C(O)c2c(C)cc(C)cc2C)c(C)c1.Cc1cc(C)c(C(O)c2c(C)cc(C)cc2C)c(C)c1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1
InChIInChI=1S/3C19H24O.C12H17N.2C10H12.2C6H3Cl2N.3C6H8N.C5H10.Mo.2W/c3*1-11-7-13(3)17(14(4)8-11)19(20)18-15(5)9-12(2)10-16(18)6;1-8(2)10-6-5-7-11(9(3)4)12(10)13;2*1-10(2,3)9-7-5-4-6-8-9;2*7-4-2-1-3-5(8)6(4)9;3*1-5-3-4-6(2)7-5;1-5(2,3)4;;;/h3*7-10,19-20H,1-6H3;5-9H,1-4H3;2*1,4-8H,2-3H3;2*1-3H;3*3-4H,1-2H3;1H,2-4H3;;;/q;;;;;;;;3*-1;;;;
InChIKeyDMMTZRAWYLFVLA-UHFFFAOYSA-N
MW2381.06 g/mol
LogP34.66
Rot. Bonds15

About tris(bis(2,4,6-trimethylphenyl)methanol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum

tris(bis(2,4,6-trimethylphenyl)methanol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum (PubChem CID 161383120) has the molecular formula C124H153Cl4MoN6O3W2-3 and a molecular weight of 2381.06 g/mol. Its IUPAC name is tris(bis(2,4,6-trimethylphenyl)methanol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum.

Molecular Properties

Compound Nametris(bis(2,4,6-trimethylphenyl)methanol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum
PubChem CID161383120
Molecular FormulaC124H153Cl4MoN6O3W2-3
Molecular Weight2381.06 g/mol
Exact Mass2379.88
IUPAC Nametris(bis(2,4,6-trimethylphenyl)methanol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum
SMILESCC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C=[W]=Nc1c(Cl)cccc1Cl)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.Cc1cc(C)c(C(O)c2c(C)cc(C)cc2C)c(C)c1.Cc1cc(C)c(C(O)c2c(C)cc(C)cc2C)c(C)c1.Cc1cc(C)c(C(O)c2c(C)cc(C)cc2C)c(C)c1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1
InChIInChI=1S/3C19H24O.C12H17N.2C10H12.2C6H3Cl2N.3C6H8N.C5H10.Mo.2W/c3*1-11-7-13(3)17(14(4)8-11)19(20)18-15(5)9-12(2)10-16(18)6;1-8(2)10-6-5-7-11(9(3)4)12(10)13;2*1-10(2,3)9-7-5-4-6-8-9;2*7-4-2-1-3-5(8)6(4)9;3*1-5-3-4-6(2)7-5;1-5(2,3)4;;;/h3*7-10,19-20H,1-6H3;5-9H,1-4H3;2*1,4-8H,2-3H3;2*1-3H;3*3-4H,1-2H3;1H,2-4H3;;;/q;;;;;;;;3*-1;;;;
InChIKeyDMMTZRAWYLFVLA-UHFFFAOYSA-N
XLogP34.66
TPSA140.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms140
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002381.06
LogP ≤ 534.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze tris(bis(2,4,6-trimethylphenyl)methanol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum with MolForge

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Related Compounds

(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);[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)tungsten;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;8-(8-methylnaphthalen-1-yl)naphthalen-1-ol;2,3,4,5,6-pentafluorophenol
CID 157458416
bis(2-tert-butyl-6-phenylphenol);2,6-dibromo-4-fluorophenol;bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;tetrakis(2,5-dimethylpyrrol-1-ide);2,6-diphenylbenzenethiolate;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum
CID 158750489
3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;bis(2-tert-butyl-6-(methoxymethyl)phenol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum
CID 158670601
(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)tungsten;(3,5-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;tris(2-[4-methyl-2,6-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol);bis(pyrrol-1-ide)
CID 162076601
4-bromo-2-(4-bromophenyl)-6-(4-methylphenyl)-3,5-diphenylphenol;bis(2,6-ditert-butylphenol);tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;tris(2,5-dimethylpyrrol-1-ide);4-fluoro-2,6-diphenylphenol;bis(pyrrol-1-ide);tris(4-methylphenyl)methanol
CID 157128021
3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;bis(2-bromo-4-fluoro-6-(2,4,6-trimethylphenyl)phenol);4-bromo-2,3,5,6-tetraphenylphenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;tetrakis(2,5-dimethylpyrrol-1-ide);bis([2,6-di(propan-2-yl)phenyl]imino-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropylidene]molybdenum);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum
CID 163550082
1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;4-bromo-2,6-diphenylphenol;bis((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 159789096
3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;pentakis(2,5-dimethylpyrrol-1-ide);pentakis(hydroxy(triphenyl)silane);bis(pyrrol-1-ide);triphenylmethanol
CID 158079685
(2R)-2,5-dimethyl-2,3-dihydropyrrol-1-ide;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 158996686
4-bromo-2,6-ditert-butylphenol;2,6-ditert-butyl-4-methoxyphenol;2,6-ditert-butyl-4-methylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);hydroxy(triphenyl)silane;hexakis(pyrrol-1-ide);2,4,6-tritert-butylphenol
CID 159246897
2-bromo-4-fluoro-6-(2,4,6-trimethylphenyl)phenol;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide
CID 153288388
2-bromo-4-fluoro-6-(2,4,6-trimethylphenyl)phenol;4-chloro-2,6-diphenylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,6-dimethoxyphenol;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;tetrakis(2,5-dimethylpyrrol-1-ide);quinolin-8-ol
CID 159861385

Frequently Asked Questions

What is the IUPAC name of tris(bis(2,4,6-trimethylphenyl)methanol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum?
The IUPAC name of tris(bis(2,4,6-trimethylphenyl)methanol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum (CID 161383120) is tris(bis(2,4,6-trimethylphenyl)methanol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum.
What is the SMILES notation for tris(bis(2,4,6-trimethylphenyl)methanol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum?
The canonical SMILES for tris(bis(2,4,6-trimethylphenyl)methanol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum is CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C=[W]=Nc1c(Cl)cccc1Cl)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.Cc1cc(C)c(C(O)c2c(C)cc(C)cc2C)c(C)c1.Cc1cc(C)c(C(O)c2c(C)cc(C)cc2C)c(C)c1.Cc1cc(C)c(C(O)c2c(C)cc(C)cc2C)c(C)c1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.
What is the InChIKey of tris(bis(2,4,6-trimethylphenyl)methanol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum?
The InChIKey is DMMTZRAWYLFVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C19H24O.C12H17N.2C10H12.2C6H3Cl2N.3C6H8N.C5H10.Mo.2W/c3*1-11-7-13(3)17(14(4)8-11)19(20)18-15(5)9-12(2)10-16(18)6;1-8(2)10-6-5-7-11(9(3)4)12(10)13;2*1-10(2,3)9-7-5-4-6-8-9;2*7-4-2-1-3-5(8)6(4)9;3*1-5-3-4-6(2)7-5;1-5(2,3)4;;;/h3*7-10,19-20H,1-6H3;5-9H,1-4H3;2*1,4-8H,2-3H3;2*1-3H;3*3-4H,1-2H3;1H,2-4H3;;;/q;;;;;;;;3*-1;;;;.
What are the key properties of tris(bis(2,4,6-trimethylphenyl)methanol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum?
tris(bis(2,4,6-trimethylphenyl)methanol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum has a molecular weight of 2381.06 g/mol, XLogP of 34.66, 15 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(bis(2,4,6-trimethylphenyl)methanol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum is sourced from PubChem (CID 161383120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).