1,2,3,4,5,6-hexamethylbenzene;methane;bis(1,2,3,4,5,6,7,8-octamethylnaphthalene);1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene;tris(2,3,4,5,6-pentamethylpyridine);2,3,4,6-tetramethyl-5-(2,3,4,5,6-pentamethylphenyl)pyridine;bis(2,4,5,6-tetramethylpyrimidine)

C143H220N8 — CID 158125527

IUPAC1,2,3,4,5,6-hexamethylbenzene;methane;bis(1,2,3,4,5,6,7,8-octamethylnaphthalene);1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene;tris(2,3,4,5,6-pentamethylpyridine);2,3,4,6-tetramethyl-5-(2,3,4,5,6-pentamethylphenyl)pyridine;bis(2,4,5,6-tetramethylpyrimidine)
SMILESC.C.C.C.C.C.C.Cc1c(C)c(C)c(-c2c(C)c(C)c(C)c(C)c2C)c(C)c1C.Cc1c(C)c(C)c(C)c(C)c1C.Cc1c(C)c(C)c2c(C)c(C)c(C)c(C)c2c1C.Cc1c(C)c(C)c2c(C)c(C)c(C)c(C)c2c1C.Cc1nc(C)c(-c2c(C)c(C)c(C)c(C)c2C)c(C)c1C.Cc1nc(C)c(C)c(C)c1C.Cc1nc(C)c(C)c(C)c1C.Cc1nc(C)c(C)c(C)c1C.Cc1nc(C)c(C)c(C)n1.Cc1nc(C)c(C)c(C)n1
InChIInChI=1S/C22H30.C20H27N.2C18H24.C12H18.3C10H15N.2C8H12N2.7CH4/c1-11-13(3)17(7)21(18(8)14(11)4)22-19(9)15(5)12(2)16(6)20(22)10;1-10-11(2)14(5)19(15(6)12(10)3)20-16(7)13(4)17(8)21-18(20)9;2*1-9-10(2)14(6)18-16(8)12(4)11(3)15(7)17(18)13(9)5;1-7-8(2)10(4)12(6)11(5)9(7)3;3*1-6-7(2)9(4)11-10(5)8(6)3;2*1-5-6(2)9-8(4)10-7(5)3;;;;;;;/h1-10H3;1-9H3;2*1-8H3;1-6H3;3*1-5H3;2*1-4H3;7*1H4
InChIKeyFSCVZQRZTZCVQC-UHFFFAOYSA-N
MW2051.39 g/mol
LogP41.86
Rot. Bonds2

About 1,2,3,4,5,6-hexamethylbenzene;methane;bis(1,2,3,4,5,6,7,8-octamethylnaphthalene);1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene;tris(2,3,4,5,6-pentamethylpyridine);2,3,4,6-tetramethyl-5-(2,3,4,5,6-pentamethylphenyl)pyridine;bis(2,4,5,6-tetramethylpyrimidine)

1,2,3,4,5,6-hexamethylbenzene;methane;bis(1,2,3,4,5,6,7,8-octamethylnaphthalene);1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene;tris(2,3,4,5,6-pentamethylpyridine);2,3,4,6-tetramethyl-5-(2,3,4,5,6-pentamethylphenyl)pyridine;bis(2,4,5,6-tetramethylpyrimidine) (PubChem CID 158125527) has the molecular formula C143H220N8 and a molecular weight of 2051.39 g/mol. Its IUPAC name is 1,2,3,4,5,6-hexamethylbenzene;methane;bis(1,2,3,4,5,6,7,8-octamethylnaphthalene);1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene;tris(2,3,4,5,6-pentamethylpyridine);2,3,4,6-tetramethyl-5-(2,3,4,5,6-pentamethylphenyl)pyridine;bis(2,4,5,6-tetramethylpyrimidine).

Molecular Properties

Compound Name1,2,3,4,5,6-hexamethylbenzene;methane;bis(1,2,3,4,5,6,7,8-octamethylnaphthalene);1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene;tris(2,3,4,5,6-pentamethylpyridine);2,3,4,6-tetramethyl-5-(2,3,4,5,6-pentamethylphenyl)pyridine;bis(2,4,5,6-tetramethylpyrimidine)
PubChem CID158125527
Molecular FormulaC143H220N8
Molecular Weight2051.39 g/mol
Exact Mass2049.75
IUPAC Name1,2,3,4,5,6-hexamethylbenzene;methane;bis(1,2,3,4,5,6,7,8-octamethylnaphthalene);1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene;tris(2,3,4,5,6-pentamethylpyridine);2,3,4,6-tetramethyl-5-(2,3,4,5,6-pentamethylphenyl)pyridine;bis(2,4,5,6-tetramethylpyrimidine)
SMILESC.C.C.C.C.C.C.Cc1c(C)c(C)c(-c2c(C)c(C)c(C)c(C)c2C)c(C)c1C.Cc1c(C)c(C)c(C)c(C)c1C.Cc1c(C)c(C)c2c(C)c(C)c(C)c(C)c2c1C.Cc1c(C)c(C)c2c(C)c(C)c(C)c(C)c2c1C.Cc1nc(C)c(-c2c(C)c(C)c(C)c(C)c2C)c(C)c1C.Cc1nc(C)c(C)c(C)c1C.Cc1nc(C)c(C)c(C)c1C.Cc1nc(C)c(C)c(C)c1C.Cc1nc(C)c(C)c(C)n1.Cc1nc(C)c(C)c(C)n1
InChIInChI=1S/C22H30.C20H27N.2C18H24.C12H18.3C10H15N.2C8H12N2.7CH4/c1-11-13(3)17(7)21(18(8)14(11)4)22-19(9)15(5)12(2)16(6)20(22)10;1-10-11(2)14(5)19(15(6)12(10)3)20-16(7)13(4)17(8)21-18(20)9;2*1-9-10(2)14(6)18-16(8)12(4)11(3)15(7)17(18)13(9)5;1-7-8(2)10(4)12(6)11(5)9(7)3;3*1-6-7(2)9(4)11-10(5)8(6)3;2*1-5-6(2)9-8(4)10-7(5)3;;;;;;;/h1-10H3;1-9H3;2*1-8H3;1-6H3;3*1-5H3;2*1-4H3;7*1H4
InChIKeyFSCVZQRZTZCVQC-UHFFFAOYSA-N
XLogP41.86
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms151
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002051.39
LogP ≤ 541.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1,2,3,4,5,6-hexamethylbenzene;methane;bis(1,2,3,4,5,6,7,8-octamethylnaphthalene);1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene;tris(2,3,4,5,6-pentamethylpyridine);2,3,4,6-tetramethyl-5-(2,3,4,5,6-pentamethylphenyl)pyridine;bis(2,4,5,6-tetramethylpyrimidine) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6-hexamethylbenzene;methane;bis(1,2,3,4,5,6,7,8-octamethylnaphthalene);1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene;tris(2,3,4,5,6-pentamethylpyridine);2,3,4,6-tetramethyl-5-(2,3,4,5,6-pentamethylphenyl)pyridine;bis(2,4,5,6-tetramethylpyrimidine)?
The IUPAC name of 1,2,3,4,5,6-hexamethylbenzene;methane;bis(1,2,3,4,5,6,7,8-octamethylnaphthalene);1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene;tris(2,3,4,5,6-pentamethylpyridine);2,3,4,6-tetramethyl-5-(2,3,4,5,6-pentamethylphenyl)pyridine;bis(2,4,5,6-tetramethylpyrimidine) (CID 158125527) is 1,2,3,4,5,6-hexamethylbenzene;methane;bis(1,2,3,4,5,6,7,8-octamethylnaphthalene);1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene;tris(2,3,4,5,6-pentamethylpyridine);2,3,4,6-tetramethyl-5-(2,3,4,5,6-pentamethylphenyl)pyridine;bis(2,4,5,6-tetramethylpyrimidine).
What is the SMILES notation for 1,2,3,4,5,6-hexamethylbenzene;methane;bis(1,2,3,4,5,6,7,8-octamethylnaphthalene);1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene;tris(2,3,4,5,6-pentamethylpyridine);2,3,4,6-tetramethyl-5-(2,3,4,5,6-pentamethylphenyl)pyridine;bis(2,4,5,6-tetramethylpyrimidine)?
The canonical SMILES for 1,2,3,4,5,6-hexamethylbenzene;methane;bis(1,2,3,4,5,6,7,8-octamethylnaphthalene);1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene;tris(2,3,4,5,6-pentamethylpyridine);2,3,4,6-tetramethyl-5-(2,3,4,5,6-pentamethylphenyl)pyridine;bis(2,4,5,6-tetramethylpyrimidine) is C.C.C.C.C.C.C.Cc1c(C)c(C)c(-c2c(C)c(C)c(C)c(C)c2C)c(C)c1C.Cc1c(C)c(C)c(C)c(C)c1C.Cc1c(C)c(C)c2c(C)c(C)c(C)c(C)c2c1C.Cc1c(C)c(C)c2c(C)c(C)c(C)c(C)c2c1C.Cc1nc(C)c(-c2c(C)c(C)c(C)c(C)c2C)c(C)c1C.Cc1nc(C)c(C)c(C)c1C.Cc1nc(C)c(C)c(C)c1C.Cc1nc(C)c(C)c(C)c1C.Cc1nc(C)c(C)c(C)n1.Cc1nc(C)c(C)c(C)n1.
What is the InChIKey of 1,2,3,4,5,6-hexamethylbenzene;methane;bis(1,2,3,4,5,6,7,8-octamethylnaphthalene);1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene;tris(2,3,4,5,6-pentamethylpyridine);2,3,4,6-tetramethyl-5-(2,3,4,5,6-pentamethylphenyl)pyridine;bis(2,4,5,6-tetramethylpyrimidine)?
The InChIKey is FSCVZQRZTZCVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30.C20H27N.2C18H24.C12H18.3C10H15N.2C8H12N2.7CH4/c1-11-13(3)17(7)21(18(8)14(11)4)22-19(9)15(5)12(2)16(6)20(22)10;1-10-11(2)14(5)19(15(6)12(10)3)20-16(7)13(4)17(8)21-18(20)9;2*1-9-10(2)14(6)18-16(8)12(4)11(3)15(7)17(18)13(9)5;1-7-8(2)10(4)12(6)11(5)9(7)3;3*1-6-7(2)9(4)11-10(5)8(6)3;2*1-5-6(2)9-8(4)10-7(5)3;;;;;;;/h1-10H3;1-9H3;2*1-8H3;1-6H3;3*1-5H3;2*1-4H3;7*1H4.
What are the key properties of 1,2,3,4,5,6-hexamethylbenzene;methane;bis(1,2,3,4,5,6,7,8-octamethylnaphthalene);1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene;tris(2,3,4,5,6-pentamethylpyridine);2,3,4,6-tetramethyl-5-(2,3,4,5,6-pentamethylphenyl)pyridine;bis(2,4,5,6-tetramethylpyrimidine)?
1,2,3,4,5,6-hexamethylbenzene;methane;bis(1,2,3,4,5,6,7,8-octamethylnaphthalene);1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene;tris(2,3,4,5,6-pentamethylpyridine);2,3,4,6-tetramethyl-5-(2,3,4,5,6-pentamethylphenyl)pyridine;bis(2,4,5,6-tetramethylpyrimidine) has a molecular weight of 2051.39 g/mol, XLogP of 41.86, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6-hexamethylbenzene;methane;bis(1,2,3,4,5,6,7,8-octamethylnaphthalene);1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene;tris(2,3,4,5,6-pentamethylpyridine);2,3,4,6-tetramethyl-5-(2,3,4,5,6-pentamethylphenyl)pyridine;bis(2,4,5,6-tetramethylpyrimidine) is sourced from PubChem (CID 158125527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).