1,4-bis(4-methylphenyl)benzene;2,5-bis(4-methylphenyl)pyrimidine;2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethylnaphthalene;2,5-dimethylpyridine;2,6-dimethylquinoline;2,6-dimethylquinoxaline;1-methyl-4-(4-methylphenyl)benzene;2-methyl-5-(4-methylphenyl)pyridine;2-methyl-5-[5-(4-methylphenyl)-2-pyridinyl]pyridine;1,2,5-trimethylbenzimidazole;1,4-xylene

C168H169N15OS — CID 161027044

IUPAC1,4-bis(4-methylphenyl)benzene;2,5-bis(4-methylphenyl)pyrimidine;2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethylnaphthalene;2,5-dimethylpyridine;2,6-dimethylquinoline;2,6-dimethylquinoxaline;1-methyl-4-(4-methylphenyl)benzene;2-methyl-5-(4-methylphenyl)pyridine;2-methyl-5-[5-(4-methylphenyl)-2-pyridinyl]pyridine;1,2,5-trimethylbenzimidazole;1,4-xylene
SMILESCc1ccc(-c2ccc(-c3ccc(C)cc3)cc2)cc1.Cc1ccc(-c2ccc(-c3ccc(C)nc3)nc2)cc1.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(-c2ccc(C)nc2)cc1.Cc1ccc(-c2cnc(-c3ccc(C)cc3)nc2)cc1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc2c(c1)nc(C)n2C.Cc1ccc2cc(C)ccc2c1.Cc1ccc2nc(C)[nH]c2c1.Cc1ccc2nc(C)ccc2c1.Cc1ccc2nc(C)cnc2c1.Cc1ccc2oc(C)nc2c1.Cc1ccc2sc(C)nc2c1
InChIInChI=1S/C20H18.2C18H16N2.C14H14.C13H13N.C12H12.C11H11N.C10H12N2.C10H10N2.C9H10N2.C9H9NO.C9H9NS.C8H10.C7H9N/c1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)18-9-5-16(2)6-10-18;1-13-3-7-15(8-4-13)17-11-19-18(20-12-17)16-9-5-14(2)6-10-16;1-13-3-6-15(7-4-13)16-9-10-18(20-11-16)17-8-5-14(2)19-12-17;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-10-3-6-12(7-4-10)13-8-5-11(2)14-9-13;1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-8-3-6-11-10(7-8)5-4-9(2)12-11;1-7-4-5-10-9(6-7)11-8(2)12(10)3;1-7-3-4-9-10(5-7)11-6-8(2)12-9;1-6-3-4-8-9(5-6)11-7(2)10-8;2*1-6-3-4-9-8(5-6)10-7(2)11-9;1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)8-5-6/h3-14H,1-2H3;2*3-12H,1-2H3;3-10H,1-2H3;3-9H,1-2H3;3-8H,1-2H3;3-7H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;3-5H,1-2H3,(H,10,11);2*3-5H,1-2H3;3-6H,1-2H3;3-5H,1-2H3
InChIKeyTZCUBTBFWRJDCN-UHFFFAOYSA-N
MW2446.37 g/mol
LogP44.11
Rot. Bonds8

About 1,4-bis(4-methylphenyl)benzene;2,5-bis(4-methylphenyl)pyrimidine;2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethylnaphthalene;2,5-dimethylpyridine;2,6-dimethylquinoline;2,6-dimethylquinoxaline;1-methyl-4-(4-methylphenyl)benzene;2-methyl-5-(4-methylphenyl)pyridine;2-methyl-5-[5-(4-methylphenyl)-2-pyridinyl]pyridine;1,2,5-trimethylbenzimidazole;1,4-xylene

1,4-bis(4-methylphenyl)benzene;2,5-bis(4-methylphenyl)pyrimidine;2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethylnaphthalene;2,5-dimethylpyridine;2,6-dimethylquinoline;2,6-dimethylquinoxaline;1-methyl-4-(4-methylphenyl)benzene;2-methyl-5-(4-methylphenyl)pyridine;2-methyl-5-[5-(4-methylphenyl)-2-pyridinyl]pyridine;1,2,5-trimethylbenzimidazole;1,4-xylene (PubChem CID 161027044) has the molecular formula C168H169N15OS and a molecular weight of 2446.37 g/mol. Its IUPAC name is 1,4-bis(4-methylphenyl)benzene;2,5-bis(4-methylphenyl)pyrimidine;2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethylnaphthalene;2,5-dimethylpyridine;2,6-dimethylquinoline;2,6-dimethylquinoxaline;1-methyl-4-(4-methylphenyl)benzene;2-methyl-5-(4-methylphenyl)pyridine;2-methyl-5-[5-(4-methylphenyl)-2-pyridinyl]pyridine;1,2,5-trimethylbenzimidazole;1,4-xylene.

Molecular Properties

Compound Name1,4-bis(4-methylphenyl)benzene;2,5-bis(4-methylphenyl)pyrimidine;2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethylnaphthalene;2,5-dimethylpyridine;2,6-dimethylquinoline;2,6-dimethylquinoxaline;1-methyl-4-(4-methylphenyl)benzene;2-methyl-5-(4-methylphenyl)pyridine;2-methyl-5-[5-(4-methylphenyl)-2-pyridinyl]pyridine;1,2,5-trimethylbenzimidazole;1,4-xylene
PubChem CID161027044
Molecular FormulaC168H169N15OS
Molecular Weight2446.37 g/mol
Exact Mass2444.34
IUPAC Name1,4-bis(4-methylphenyl)benzene;2,5-bis(4-methylphenyl)pyrimidine;2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethylnaphthalene;2,5-dimethylpyridine;2,6-dimethylquinoline;2,6-dimethylquinoxaline;1-methyl-4-(4-methylphenyl)benzene;2-methyl-5-(4-methylphenyl)pyridine;2-methyl-5-[5-(4-methylphenyl)-2-pyridinyl]pyridine;1,2,5-trimethylbenzimidazole;1,4-xylene
SMILESCc1ccc(-c2ccc(-c3ccc(C)cc3)cc2)cc1.Cc1ccc(-c2ccc(-c3ccc(C)nc3)nc2)cc1.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(-c2ccc(C)nc2)cc1.Cc1ccc(-c2cnc(-c3ccc(C)cc3)nc2)cc1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc2c(c1)nc(C)n2C.Cc1ccc2cc(C)ccc2c1.Cc1ccc2nc(C)[nH]c2c1.Cc1ccc2nc(C)ccc2c1.Cc1ccc2nc(C)cnc2c1.Cc1ccc2oc(C)nc2c1.Cc1ccc2sc(C)nc2c1
InChIInChI=1S/C20H18.2C18H16N2.C14H14.C13H13N.C12H12.C11H11N.C10H12N2.C10H10N2.C9H10N2.C9H9NO.C9H9NS.C8H10.C7H9N/c1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)18-9-5-16(2)6-10-18;1-13-3-7-15(8-4-13)17-11-19-18(20-12-17)16-9-5-14(2)6-10-16;1-13-3-6-15(7-4-13)16-9-10-18(20-11-16)17-8-5-14(2)19-12-17;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-10-3-6-12(7-4-10)13-8-5-11(2)14-9-13;1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-8-3-6-11-10(7-8)5-4-9(2)12-11;1-7-4-5-10-9(6-7)11-8(2)12(10)3;1-7-3-4-9-10(5-7)11-6-8(2)12-9;1-6-3-4-8-9(5-6)11-7(2)10-8;2*1-6-3-4-9-8(5-6)10-7(2)11-9;1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)8-5-6/h3-14H,1-2H3;2*3-12H,1-2H3;3-10H,1-2H3;3-9H,1-2H3;3-8H,1-2H3;3-7H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;3-5H,1-2H3,(H,10,11);2*3-5H,1-2H3;3-6H,1-2H3;3-5H,1-2H3
InChIKeyTZCUBTBFWRJDCN-UHFFFAOYSA-N
XLogP44.11
TPSA201.43 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms185
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002446.37
LogP ≤ 544.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze 1,4-bis(4-methylphenyl)benzene;2,5-bis(4-methylphenyl)pyrimidine;2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethylnaphthalene;2,5-dimethylpyridine;2,6-dimethylquinoline;2,6-dimethylquinoxaline;1-methyl-4-(4-methylphenyl)benzene;2-methyl-5-(4-methylphenyl)pyridine;2-methyl-5-[5-(4-methylphenyl)-2-pyridinyl]pyridine;1,2,5-trimethylbenzimidazole;1,4-xylene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(4-methylphenyl)benzene;2,5-bis(4-methylphenyl)pyrimidine;2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethylnaphthalene;2,5-dimethylpyridine;2,6-dimethylquinoline;2,6-dimethylquinoxaline;1-methyl-4-(4-methylphenyl)benzene;2-methyl-5-(4-methylphenyl)pyridine;2-methyl-5-[5-(4-methylphenyl)-2-pyridinyl]pyridine;1,2,5-trimethylbenzimidazole;1,4-xylene?
The IUPAC name of 1,4-bis(4-methylphenyl)benzene;2,5-bis(4-methylphenyl)pyrimidine;2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethylnaphthalene;2,5-dimethylpyridine;2,6-dimethylquinoline;2,6-dimethylquinoxaline;1-methyl-4-(4-methylphenyl)benzene;2-methyl-5-(4-methylphenyl)pyridine;2-methyl-5-[5-(4-methylphenyl)-2-pyridinyl]pyridine;1,2,5-trimethylbenzimidazole;1,4-xylene (CID 161027044) is 1,4-bis(4-methylphenyl)benzene;2,5-bis(4-methylphenyl)pyrimidine;2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethylnaphthalene;2,5-dimethylpyridine;2,6-dimethylquinoline;2,6-dimethylquinoxaline;1-methyl-4-(4-methylphenyl)benzene;2-methyl-5-(4-methylphenyl)pyridine;2-methyl-5-[5-(4-methylphenyl)-2-pyridinyl]pyridine;1,2,5-trimethylbenzimidazole;1,4-xylene.
What is the SMILES notation for 1,4-bis(4-methylphenyl)benzene;2,5-bis(4-methylphenyl)pyrimidine;2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethylnaphthalene;2,5-dimethylpyridine;2,6-dimethylquinoline;2,6-dimethylquinoxaline;1-methyl-4-(4-methylphenyl)benzene;2-methyl-5-(4-methylphenyl)pyridine;2-methyl-5-[5-(4-methylphenyl)-2-pyridinyl]pyridine;1,2,5-trimethylbenzimidazole;1,4-xylene?
The canonical SMILES for 1,4-bis(4-methylphenyl)benzene;2,5-bis(4-methylphenyl)pyrimidine;2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethylnaphthalene;2,5-dimethylpyridine;2,6-dimethylquinoline;2,6-dimethylquinoxaline;1-methyl-4-(4-methylphenyl)benzene;2-methyl-5-(4-methylphenyl)pyridine;2-methyl-5-[5-(4-methylphenyl)-2-pyridinyl]pyridine;1,2,5-trimethylbenzimidazole;1,4-xylene is Cc1ccc(-c2ccc(-c3ccc(C)cc3)cc2)cc1.Cc1ccc(-c2ccc(-c3ccc(C)nc3)nc2)cc1.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(-c2ccc(C)nc2)cc1.Cc1ccc(-c2cnc(-c3ccc(C)cc3)nc2)cc1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc2c(c1)nc(C)n2C.Cc1ccc2cc(C)ccc2c1.Cc1ccc2nc(C)[nH]c2c1.Cc1ccc2nc(C)ccc2c1.Cc1ccc2nc(C)cnc2c1.Cc1ccc2oc(C)nc2c1.Cc1ccc2sc(C)nc2c1.
What is the InChIKey of 1,4-bis(4-methylphenyl)benzene;2,5-bis(4-methylphenyl)pyrimidine;2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethylnaphthalene;2,5-dimethylpyridine;2,6-dimethylquinoline;2,6-dimethylquinoxaline;1-methyl-4-(4-methylphenyl)benzene;2-methyl-5-(4-methylphenyl)pyridine;2-methyl-5-[5-(4-methylphenyl)-2-pyridinyl]pyridine;1,2,5-trimethylbenzimidazole;1,4-xylene?
The InChIKey is TZCUBTBFWRJDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18.2C18H16N2.C14H14.C13H13N.C12H12.C11H11N.C10H12N2.C10H10N2.C9H10N2.C9H9NO.C9H9NS.C8H10.C7H9N/c1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)18-9-5-16(2)6-10-18;1-13-3-7-15(8-4-13)17-11-19-18(20-12-17)16-9-5-14(2)6-10-16;1-13-3-6-15(7-4-13)16-9-10-18(20-11-16)17-8-5-14(2)19-12-17;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-10-3-6-12(7-4-10)13-8-5-11(2)14-9-13;1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-8-3-6-11-10(7-8)5-4-9(2)12-11;1-7-4-5-10-9(6-7)11-8(2)12(10)3;1-7-3-4-9-10(5-7)11-6-8(2)12-9;1-6-3-4-8-9(5-6)11-7(2)10-8;2*1-6-3-4-9-8(5-6)10-7(2)11-9;1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)8-5-6/h3-14H,1-2H3;2*3-12H,1-2H3;3-10H,1-2H3;3-9H,1-2H3;3-8H,1-2H3;3-7H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;3-5H,1-2H3,(H,10,11);2*3-5H,1-2H3;3-6H,1-2H3;3-5H,1-2H3.
What are the key properties of 1,4-bis(4-methylphenyl)benzene;2,5-bis(4-methylphenyl)pyrimidine;2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethylnaphthalene;2,5-dimethylpyridine;2,6-dimethylquinoline;2,6-dimethylquinoxaline;1-methyl-4-(4-methylphenyl)benzene;2-methyl-5-(4-methylphenyl)pyridine;2-methyl-5-[5-(4-methylphenyl)-2-pyridinyl]pyridine;1,2,5-trimethylbenzimidazole;1,4-xylene?
1,4-bis(4-methylphenyl)benzene;2,5-bis(4-methylphenyl)pyrimidine;2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethylnaphthalene;2,5-dimethylpyridine;2,6-dimethylquinoline;2,6-dimethylquinoxaline;1-methyl-4-(4-methylphenyl)benzene;2-methyl-5-(4-methylphenyl)pyridine;2-methyl-5-[5-(4-methylphenyl)-2-pyridinyl]pyridine;1,2,5-trimethylbenzimidazole;1,4-xylene has a molecular weight of 2446.37 g/mol, XLogP of 44.11, 8 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(4-methylphenyl)benzene;2,5-bis(4-methylphenyl)pyrimidine;2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethylnaphthalene;2,5-dimethylpyridine;2,6-dimethylquinoline;2,6-dimethylquinoxaline;1-methyl-4-(4-methylphenyl)benzene;2-methyl-5-(4-methylphenyl)pyridine;2-methyl-5-[5-(4-methylphenyl)-2-pyridinyl]pyridine;1,2,5-trimethylbenzimidazole;1,4-xylene is sourced from PubChem (CID 161027044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).