(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten);bis(2,5-dimethylpyrrol-1-ide);2,6-diphenylphenol;8-(8-methoxynaphthalen-1-yl)naphthalen-1-ol;2-methylpropan-2-ol;tris(1,1,1-trifluoro-2-methylpropan-2-ol)

C129H171Cl2F9N6O7W4-2 — CID 163837306

IUPAC(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten);bis(2,5-dimethylpyrrol-1-ide);2,6-diphenylphenol;8-(8-methoxynaphthalen-1-yl)naphthalen-1-ol;2-methylpropan-2-ol;tris(1,1,1-trifluoro-2-methylpropan-2-ol)
SMILESCC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)O.CC(C)(O)C(F)(F)F.CC(C)(O)C(F)(F)F.CC(C)(O)C(F)(F)F.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.COc1cccc2cccc(-c3cccc4cccc(O)c34)c12.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Oc1c(-c2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C21H16O2.C18H14O.3C12H17N.C6H3Cl2N.2C6H8N.4C5H10.3C4H7F3O.C4H10O.4W/c1-23-19-13-5-9-15-7-3-11-17(21(15)19)16-10-2-6-14-8-4-12-18(22)20(14)16;19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;3*1-8(2)10-6-5-7-11(9(3)4)12(10)13;7-4-2-1-3-5(8)6(4)9;2*1-5-3-4-6(2)7-5;4*1-5(2,3)4;3*1-3(2,8)4(5,6)7;1-4(2,3)5;;;;/h2-13,22H,1H3;1-13,19H;3*5-9H,1-4H3;1-3H;2*3-4H,1-2H3;4*1H,2-4H3;3*8H,1-2H3;5H,1-3H3;;;;/q;;;;;;2*-1;;;;;;;;;;;;
InChIKeyOTILJCZMWZVKNB-UHFFFAOYSA-N
MW2895.07 g/mol
LogP39.13
Rot. Bonds14

About (2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten);bis(2,5-dimethylpyrrol-1-ide);2,6-diphenylphenol;8-(8-methoxynaphthalen-1-yl)naphthalen-1-ol;2-methylpropan-2-ol;tris(1,1,1-trifluoro-2-methylpropan-2-ol)

(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten);bis(2,5-dimethylpyrrol-1-ide);2,6-diphenylphenol;8-(8-methoxynaphthalen-1-yl)naphthalen-1-ol;2-methylpropan-2-ol;tris(1,1,1-trifluoro-2-methylpropan-2-ol) (PubChem CID 163837306) has the molecular formula C129H171Cl2F9N6O7W4-2 and a molecular weight of 2895.07 g/mol. Its IUPAC name is (2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten);bis(2,5-dimethylpyrrol-1-ide);2,6-diphenylphenol;8-(8-methoxynaphthalen-1-yl)naphthalen-1-ol;2-methylpropan-2-ol;tris(1,1,1-trifluoro-2-methylpropan-2-ol).

Molecular Properties

Compound Name(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten);bis(2,5-dimethylpyrrol-1-ide);2,6-diphenylphenol;8-(8-methoxynaphthalen-1-yl)naphthalen-1-ol;2-methylpropan-2-ol;tris(1,1,1-trifluoro-2-methylpropan-2-ol)
PubChem CID163837306
Molecular FormulaC129H171Cl2F9N6O7W4-2
Molecular Weight2895.07 g/mol
Exact Mass2893.05
IUPAC Name(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten);bis(2,5-dimethylpyrrol-1-ide);2,6-diphenylphenol;8-(8-methoxynaphthalen-1-yl)naphthalen-1-ol;2-methylpropan-2-ol;tris(1,1,1-trifluoro-2-methylpropan-2-ol)
SMILESCC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)O.CC(C)(O)C(F)(F)F.CC(C)(O)C(F)(F)F.CC(C)(O)C(F)(F)F.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.COc1cccc2cccc(-c3cccc4cccc(O)c34)c12.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Oc1c(-c2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C21H16O2.C18H14O.3C12H17N.C6H3Cl2N.2C6H8N.4C5H10.3C4H7F3O.C4H10O.4W/c1-23-19-13-5-9-15-7-3-11-17(21(15)19)16-10-2-6-14-8-4-12-18(22)20(14)16;19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;3*1-8(2)10-6-5-7-11(9(3)4)12(10)13;7-4-2-1-3-5(8)6(4)9;2*1-5-3-4-6(2)7-5;4*1-5(2,3)4;3*1-3(2,8)4(5,6)7;1-4(2,3)5;;;;/h2-13,22H,1H3;1-13,19H;3*5-9H,1-4H3;1-3H;2*3-4H,1-2H3;4*1H,2-4H3;3*8H,1-2H3;5H,1-3H3;;;;/q;;;;;;2*-1;;;;;;;;;;;;
InChIKeyOTILJCZMWZVKNB-UHFFFAOYSA-N
XLogP39.13
TPSA208.25 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms157
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002895.07
LogP ≤ 539.13
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Analyze (2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten);bis(2,5-dimethylpyrrol-1-ide);2,6-diphenylphenol;8-(8-methoxynaphthalen-1-yl)naphthalen-1-ol;2-methylpropan-2-ol;tris(1,1,1-trifluoro-2-methylpropan-2-ol) 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
8-[8-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]naphthalen-1-ol;bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum(2+);tris(2,5-dimethylpyrrol-1-ide);8-phenylnaphthalen-1-ol;2,3,5,6-tetraphenylbenzenethiolate
CID 158747103
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
(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
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
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
2,6-diphenylphenol;tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);2-methoxy-6-methylphenol;4-methyl-2,6-diphenylphenol;2-methylpropan-2-ol;quinolin-8-ol;1,1,1-trifluoro-2-methylpropan-2-ol
CID 161075571
(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
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
8-(2-bromophenyl)naphthalen-1-ol;(2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,2-dimethylpropylidene-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum;2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminomolybdenum;2,5-dimethylpyrrol-1-ide;hexakis(2,6-diphenylphenol)
CID 159202135
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

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten);bis(2,5-dimethylpyrrol-1-ide);2,6-diphenylphenol;8-(8-methoxynaphthalen-1-yl)naphthalen-1-ol;2-methylpropan-2-ol;tris(1,1,1-trifluoro-2-methylpropan-2-ol)?
The IUPAC name of (2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten);bis(2,5-dimethylpyrrol-1-ide);2,6-diphenylphenol;8-(8-methoxynaphthalen-1-yl)naphthalen-1-ol;2-methylpropan-2-ol;tris(1,1,1-trifluoro-2-methylpropan-2-ol) (CID 163837306) is (2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten);bis(2,5-dimethylpyrrol-1-ide);2,6-diphenylphenol;8-(8-methoxynaphthalen-1-yl)naphthalen-1-ol;2-methylpropan-2-ol;tris(1,1,1-trifluoro-2-methylpropan-2-ol).
What is the SMILES notation for (2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten);bis(2,5-dimethylpyrrol-1-ide);2,6-diphenylphenol;8-(8-methoxynaphthalen-1-yl)naphthalen-1-ol;2-methylpropan-2-ol;tris(1,1,1-trifluoro-2-methylpropan-2-ol)?
The canonical SMILES for (2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten);bis(2,5-dimethylpyrrol-1-ide);2,6-diphenylphenol;8-(8-methoxynaphthalen-1-yl)naphthalen-1-ol;2-methylpropan-2-ol;tris(1,1,1-trifluoro-2-methylpropan-2-ol) is CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)O.CC(C)(O)C(F)(F)F.CC(C)(O)C(F)(F)F.CC(C)(O)C(F)(F)F.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.COc1cccc2cccc(-c3cccc4cccc(O)c34)c12.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.
What is the InChIKey of (2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten);bis(2,5-dimethylpyrrol-1-ide);2,6-diphenylphenol;8-(8-methoxynaphthalen-1-yl)naphthalen-1-ol;2-methylpropan-2-ol;tris(1,1,1-trifluoro-2-methylpropan-2-ol)?
The InChIKey is OTILJCZMWZVKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O2.C18H14O.3C12H17N.C6H3Cl2N.2C6H8N.4C5H10.3C4H7F3O.C4H10O.4W/c1-23-19-13-5-9-15-7-3-11-17(21(15)19)16-10-2-6-14-8-4-12-18(22)20(14)16;19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;3*1-8(2)10-6-5-7-11(9(3)4)12(10)13;7-4-2-1-3-5(8)6(4)9;2*1-5-3-4-6(2)7-5;4*1-5(2,3)4;3*1-3(2,8)4(5,6)7;1-4(2,3)5;;;;/h2-13,22H,1H3;1-13,19H;3*5-9H,1-4H3;1-3H;2*3-4H,1-2H3;4*1H,2-4H3;3*8H,1-2H3;5H,1-3H3;;;;/q;;;;;;2*-1;;;;;;;;;;;;.
What are the key properties of (2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten);bis(2,5-dimethylpyrrol-1-ide);2,6-diphenylphenol;8-(8-methoxynaphthalen-1-yl)naphthalen-1-ol;2-methylpropan-2-ol;tris(1,1,1-trifluoro-2-methylpropan-2-ol)?
(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten);bis(2,5-dimethylpyrrol-1-ide);2,6-diphenylphenol;8-(8-methoxynaphthalen-1-yl)naphthalen-1-ol;2-methylpropan-2-ol;tris(1,1,1-trifluoro-2-methylpropan-2-ol) has a molecular weight of 2895.07 g/mol, XLogP of 39.13, 14 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten);bis(2,5-dimethylpyrrol-1-ide);2,6-diphenylphenol;8-(8-methoxynaphthalen-1-yl)naphthalen-1-ol;2-methylpropan-2-ol;tris(1,1,1-trifluoro-2-methylpropan-2-ol) is sourced from PubChem (CID 163837306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).