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

C129H138Cl4MoN6O3SSiW2-2 — CID 158747103

IUPAC8-[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
SMILESCC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)[Si](C)(C)Oc1cccc2cccc(-c3cccc4cccc(O)c34)c12.CC(C)c1cccc(C(C)C)c1N=[Mo+2]=CC(C)(C)C.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Oc1cccc2cccc(-c3ccccc3)c12.[S-]c1c(-c2ccccc2)c(-c2ccccc2)cc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C30H22S.C26H28O2Si.C16H12O.C12H17N.2C6H3Cl2N.3C6H8N.3C5H10.Mo.2W/c31-30-28(24-17-9-3-10-18-24)26(22-13-5-1-6-14-22)21-27(23-15-7-2-8-16-23)29(30)25-19-11-4-12-20-25;1-26(2,3)29(4,5)28-23-17-9-13-19-11-7-15-21(25(19)23)20-14-6-10-18-12-8-16-22(27)24(18)20;17-15-11-5-9-13-8-4-10-14(16(13)15)12-6-2-1-3-7-12;1-8(2)10-6-5-7-11(9(3)4)12(10)13;2*7-4-2-1-3-5(8)6(4)9;3*1-5-3-4-6(2)7-5;3*1-5(2,3)4;;;/h1-21,31H;6-17,27H,1-5H3;1-11,17H;5-9H,1-4H3;2*1-3H;3*3-4H,1-2H3;3*1H,2-4H3;;;/q;;;;;;3*-1;;;;+2;;/p-1
InChIKeyJRQHOPDEBVWOFS-UHFFFAOYSA-M
MW2486.15 g/mol
LogP39.16
Rot. Bonds13

About 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

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 (PubChem CID 158747103) has the molecular formula C129H138Cl4MoN6O3SSiW2-2 and a molecular weight of 2486.15 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-[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
PubChem CID158747103
Molecular FormulaC129H138Cl4MoN6O3SSiW2-2
Molecular Weight2486.15 g/mol
Exact Mass2484.72
IUPAC Name8-[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
SMILESCC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)[Si](C)(C)Oc1cccc2cccc(-c3cccc4cccc(O)c34)c12.CC(C)c1cccc(C(C)C)c1N=[Mo+2]=CC(C)(C)C.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Oc1cccc2cccc(-c3ccccc3)c12.[S-]c1c(-c2ccccc2)c(-c2ccccc2)cc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C30H22S.C26H28O2Si.C16H12O.C12H17N.2C6H3Cl2N.3C6H8N.3C5H10.Mo.2W/c31-30-28(24-17-9-3-10-18-24)26(22-13-5-1-6-14-22)21-27(23-15-7-2-8-16-23)29(30)25-19-11-4-12-20-25;1-26(2,3)29(4,5)28-23-17-9-13-19-11-7-15-21(25(19)23)20-14-6-10-18-12-8-16-22(27)24(18)20;17-15-11-5-9-13-8-4-10-14(16(13)15)12-6-2-1-3-7-12;1-8(2)10-6-5-7-11(9(3)4)12(10)13;2*7-4-2-1-3-5(8)6(4)9;3*1-5-3-4-6(2)7-5;3*1-5(2,3)4;;;/h1-21,31H;6-17,27H,1-5H3;1-11,17H;5-9H,1-4H3;2*1-3H;3*3-4H,1-2H3;3*1H,2-4H3;;;/q;;;;;;3*-1;;;;+2;;/p-1
InChIKeyJRQHOPDEBVWOFS-UHFFFAOYSA-M
XLogP39.16
TPSA129.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms147
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002486.15
LogP ≤ 539.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

(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
(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
2,5-dimethylpyrrol-1-ide;2,6-diphenylbenzenethiolate;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum(2+)
CID 140656901
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
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
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
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
3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;8-(2-bromophenyl)naphthalen-1-ol;(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;bis(2,5-dimethylpyrrol-1-ide);bis(2,6-diphenylphenol);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum
CID 158642618
(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
(2-tert-butylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;(2-chlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2-chlorophenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum(2+);(2-methyl-2-phenylpropylidene)-[2-(2,4,6-trimethylphenyl)phenyl]iminotungsten;pentakis(2-pyridin-2-ylpyridine);decakis(pyrrol-1-ide)
CID 158455925
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)[Si](C)(C)Oc1cccc2cccc(-c3cccc4cccc(O)c34)c12.CC(C)c1cccc(C(C)C)c1N=[Mo+2]=CC(C)(C)C.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Oc1cccc2cccc(-c3ccccc3)c12.[S-]c1c(-c2ccccc2)c(-c2ccccc2)cc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 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?
The InChIKey is JRQHOPDEBVWOFS-UHFFFAOYSA-M. The full InChI is InChI=1S/C30H22S.C26H28O2Si.C16H12O.C12H17N.2C6H3Cl2N.3C6H8N.3C5H10.Mo.2W/c31-30-28(24-17-9-3-10-18-24)26(22-13-5-1-6-14-22)21-27(23-15-7-2-8-16-23)29(30)25-19-11-4-12-20-25;1-26(2,3)29(4,5)28-23-17-9-13-19-11-7-15-21(25(19)23)20-14-6-10-18-12-8-16-22(27)24(18)20;17-15-11-5-9-13-8-4-10-14(16(13)15)12-6-2-1-3-7-12;1-8(2)10-6-5-7-11(9(3)4)12(10)13;2*7-4-2-1-3-5(8)6(4)9;3*1-5-3-4-6(2)7-5;3*1-5(2,3)4;;;/h1-21,31H;6-17,27H,1-5H3;1-11,17H;5-9H,1-4H3;2*1-3H;3*3-4H,1-2H3;3*1H,2-4H3;;;/q;;;;;;3*-1;;;;+2;;/p-1.
What are the key properties of 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?
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 has a molecular weight of 2486.15 g/mol, XLogP of 39.16, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158747103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).