lithium;ethane;methane;oxopalladium;propane;propanoic acid;tris(3-[2-(2,3,4-trimethyl-6-phenylmethoxyphenyl)thiophen-3-yl]pyridine);hydroxide

C111H182LiN3O7PdS3 — CID 159837916

IUPAClithium;ethane;methane;oxopalladium;propane;propanoic acid;tris(3-[2-(2,3,4-trimethyl-6-phenylmethoxyphenyl)thiophen-3-yl]pyridine);hydroxide
SMILESC.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC.CCC.CCC(=O)O.Cc1cc(OCc2ccccc2)c(-c2sccc2-c2cccnc2)c(C)c1C.Cc1cc(OCc2ccccc2)c(-c2sccc2-c2cccnc2)c(C)c1C.Cc1cc(OCc2ccccc2)c(-c2sccc2-c2cccnc2)c(C)c1C.O=[Pd].[Li+].[OH-]
InChIInChI=1S/3C25H23NOS.C3H6O2.2C3H8.9C2H6.9CH4.Li.H2O.O.Pd/c3*1-17-14-23(27-16-20-8-5-4-6-9-20)24(19(3)18(17)2)25-22(11-13-28-25)21-10-7-12-26-15-21;1-2-3(4)5;2*1-3-2;9*1-2;;;;;;;;;;;;;/h3*4-15H,16H2,1-3H3;2H2,1H3,(H,4,5);2*3H2,1-2H3;9*1-2H3;9*1H4;;1H2;;/q;;;;;;;;;;;;;;;;;;;;;;;;+1;;;/p-1
InChIKeyNHEDFHMUGLNQBT-UHFFFAOYSA-M
MW1880.25 g/mol
LogP35.92
Rot. Bonds16

About lithium;ethane;methane;oxopalladium;propane;propanoic acid;tris(3-[2-(2,3,4-trimethyl-6-phenylmethoxyphenyl)thiophen-3-yl]pyridine);hydroxide

lithium;ethane;methane;oxopalladium;propane;propanoic acid;tris(3-[2-(2,3,4-trimethyl-6-phenylmethoxyphenyl)thiophen-3-yl]pyridine);hydroxide (PubChem CID 159837916) has the molecular formula C111H182LiN3O7PdS3 and a molecular weight of 1880.25 g/mol. Its IUPAC name is lithium;ethane;methane;oxopalladium;propane;propanoic acid;tris(3-[2-(2,3,4-trimethyl-6-phenylmethoxyphenyl)thiophen-3-yl]pyridine);hydroxide.

Molecular Properties

Compound Namelithium;ethane;methane;oxopalladium;propane;propanoic acid;tris(3-[2-(2,3,4-trimethyl-6-phenylmethoxyphenyl)thiophen-3-yl]pyridine);hydroxide
PubChem CID159837916
Molecular FormulaC111H182LiN3O7PdS3
Molecular Weight1880.25 g/mol
Exact Mass1878.23
IUPAC Namelithium;ethane;methane;oxopalladium;propane;propanoic acid;tris(3-[2-(2,3,4-trimethyl-6-phenylmethoxyphenyl)thiophen-3-yl]pyridine);hydroxide
SMILESC.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC.CCC.CCC(=O)O.Cc1cc(OCc2ccccc2)c(-c2sccc2-c2cccnc2)c(C)c1C.Cc1cc(OCc2ccccc2)c(-c2sccc2-c2cccnc2)c(C)c1C.Cc1cc(OCc2ccccc2)c(-c2sccc2-c2cccnc2)c(C)c1C.O=[Pd].[Li+].[OH-]
InChIInChI=1S/3C25H23NOS.C3H6O2.2C3H8.9C2H6.9CH4.Li.H2O.O.Pd/c3*1-17-14-23(27-16-20-8-5-4-6-9-20)24(19(3)18(17)2)25-22(11-13-28-25)21-10-7-12-26-15-21;1-2-3(4)5;2*1-3-2;9*1-2;;;;;;;;;;;;;/h3*4-15H,16H2,1-3H3;2H2,1H3,(H,4,5);2*3H2,1-2H3;9*1-2H3;9*1H4;;1H2;;/q;;;;;;;;;;;;;;;;;;;;;;;;+1;;;/p-1
InChIKeyNHEDFHMUGLNQBT-UHFFFAOYSA-M
XLogP35.92
TPSA150.73 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001880.25
LogP ≤ 535.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

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Related Compounds

ethane;3-phenyl-4-(2,3,4-trimethyl-6-phenylmethoxyphenyl)thiophene;propane
CID 91241217
4-methyl-3-phenylmethoxy-5-pyridin-3-ylpyridine
CID 175581548
3-(2,3,4-trimethyl-6-phenylmethoxyphenyl)thiophene
CID 18718071
3-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]pyridine
CID 91231900
2-phenylmethoxy-4-pyridin-3-ylbenzoic acid
CID 66989978
4-fluoro-3-methyl-5-phenylmethoxypyridine;propanoic acid
CID 175513223
5-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]pyridine-3-carboxylate
CID 18718074
N-[4-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]phenyl]-N-(pyridin-3-ylmethyl)formamide
CID 22620216
2-(3-chlorophenyl)-3-phenylmethoxythiophene;ethyl acetate
CID 175238710
4-methyl-3-phenylmethoxy-5-pyridin-3-yl-2-(trifluoromethyl)pyridine
CID 175581577
2-[2-methyl-4-[[5-(4-phenylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-yl]methoxy]phenoxy]acetic acid
CID 58956141
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
CID 78875128

Frequently Asked Questions

What is the IUPAC name of lithium;ethane;methane;oxopalladium;propane;propanoic acid;tris(3-[2-(2,3,4-trimethyl-6-phenylmethoxyphenyl)thiophen-3-yl]pyridine);hydroxide?
The IUPAC name of lithium;ethane;methane;oxopalladium;propane;propanoic acid;tris(3-[2-(2,3,4-trimethyl-6-phenylmethoxyphenyl)thiophen-3-yl]pyridine);hydroxide (CID 159837916) is lithium;ethane;methane;oxopalladium;propane;propanoic acid;tris(3-[2-(2,3,4-trimethyl-6-phenylmethoxyphenyl)thiophen-3-yl]pyridine);hydroxide.
What is the SMILES notation for lithium;ethane;methane;oxopalladium;propane;propanoic acid;tris(3-[2-(2,3,4-trimethyl-6-phenylmethoxyphenyl)thiophen-3-yl]pyridine);hydroxide?
The canonical SMILES for lithium;ethane;methane;oxopalladium;propane;propanoic acid;tris(3-[2-(2,3,4-trimethyl-6-phenylmethoxyphenyl)thiophen-3-yl]pyridine);hydroxide is C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC.CCC.CCC(=O)O.Cc1cc(OCc2ccccc2)c(-c2sccc2-c2cccnc2)c(C)c1C.Cc1cc(OCc2ccccc2)c(-c2sccc2-c2cccnc2)c(C)c1C.Cc1cc(OCc2ccccc2)c(-c2sccc2-c2cccnc2)c(C)c1C.O=[Pd].[Li+].[OH-].
What is the InChIKey of lithium;ethane;methane;oxopalladium;propane;propanoic acid;tris(3-[2-(2,3,4-trimethyl-6-phenylmethoxyphenyl)thiophen-3-yl]pyridine);hydroxide?
The InChIKey is NHEDFHMUGLNQBT-UHFFFAOYSA-M. The full InChI is InChI=1S/3C25H23NOS.C3H6O2.2C3H8.9C2H6.9CH4.Li.H2O.O.Pd/c3*1-17-14-23(27-16-20-8-5-4-6-9-20)24(19(3)18(17)2)25-22(11-13-28-25)21-10-7-12-26-15-21;1-2-3(4)5;2*1-3-2;9*1-2;;;;;;;;;;;;;/h3*4-15H,16H2,1-3H3;2H2,1H3,(H,4,5);2*3H2,1-2H3;9*1-2H3;9*1H4;;1H2;;/q;;;;;;;;;;;;;;;;;;;;;;;;+1;;;/p-1.
What are the key properties of lithium;ethane;methane;oxopalladium;propane;propanoic acid;tris(3-[2-(2,3,4-trimethyl-6-phenylmethoxyphenyl)thiophen-3-yl]pyridine);hydroxide?
lithium;ethane;methane;oxopalladium;propane;propanoic acid;tris(3-[2-(2,3,4-trimethyl-6-phenylmethoxyphenyl)thiophen-3-yl]pyridine);hydroxide has a molecular weight of 1880.25 g/mol, XLogP of 35.92, 16 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;ethane;methane;oxopalladium;propane;propanoic acid;tris(3-[2-(2,3,4-trimethyl-6-phenylmethoxyphenyl)thiophen-3-yl]pyridine);hydroxide is sourced from PubChem (CID 159837916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).