2,7-dimethylanthracene;1,3-dimethyl-2-benzothiophene;2,5-dimethylfuran;4,7-dimethyl-1H-indene;2,7-dimethylnaphthalene;2,7-dimethylphenanthrene;2,5-dimethylpyridine;2,6-dimethylquinoline;2,6-dimethylquinoxaline;5,8-dimethylquinoxaline;2,5-dimethylselenophene;2,4-dimethyl-1,3-thiazole;2,5-dimethylthiophene;1,4-xylene

C134H143N7OS3Se — CID 159781634

About 2,7-dimethylanthracene;1,3-dimethyl-2-benzothiophene;2,5-dimethylfuran;4,7-dimethyl-1H-indene;2,7-dimethylnaphthalene;2,7-dimethylphenanthrene;2,5-dimethylpyridine;2,6-dimethylquinoline;2,6-dimethylquinoxaline;5,8-dimethylquinoxaline;2,5-dimethylselenophene;2,4-dimethyl-1,3-thiazole;2,5-dimethylthiophene;1,4-xylene

2,7-dimethylanthracene;1,3-dimethyl-2-benzothiophene;2,5-dimethylfuran;4,7-dimethyl-1H-indene;2,7-dimethylnaphthalene;2,7-dimethylphenanthrene;2,5-dimethylpyridine;2,6-dimethylquinoline;2,6-dimethylquinoxaline;5,8-dimethylquinoxaline;2,5-dimethylselenophene;2,4-dimethyl-1,3-thiazole;2,5-dimethylthiophene;1,4-xylene (PubChem CID 159781634) has the molecular formula C134H143N7OS3Se and a molecular weight of 2042.83 g/mol. Its IUPAC name is 2,7-dimethylanthracene;1,3-dimethyl-2-benzothiophene;2,5-dimethylfuran;4,7-dimethyl-1H-indene;2,7-dimethylnaphthalene;2,7-dimethylphenanthrene;2,5-dimethylpyridine;2,6-dimethylquinoline;2,6-dimethylquinoxaline;5,8-dimethylquinoxaline;2,5-dimethylselenophene;2,4-dimethyl-1,3-thiazole;2,5-dimethylthiophene;1,4-xylene.

Molecular Properties

• Compound Name: 2,7-dimethylanthracene;1,3-dimethyl-2-benzothiophene;2,5-dimethylfuran;4,7-dimethyl-1H-indene;2,7-dimethylnaphthalene;2,7-dimethylphenanthrene;2,5-dimethylpyridine;2,6-dimethylquinoline;2,6-dimethylquinoxaline;5,8-dimethylquinoxaline;2,5-dimethylselenophene;2,4-dimethyl-1,3-thiazole;2,5-dimethylthiophene;1,4-xylene
• PubChem CID: 159781634
• Molecular Formula: C134H143N7OS3Se
• Molecular Weight: 2042.83 g/mol
• Exact Mass: 2041.97
• IUPAC Name: 2,7-dimethylanthracene;1,3-dimethyl-2-benzothiophene;2,5-dimethylfuran;4,7-dimethyl-1H-indene;2,7-dimethylnaphthalene;2,7-dimethylphenanthrene;2,5-dimethylpyridine;2,6-dimethylquinoline;2,6-dimethylquinoxaline;5,8-dimethylquinoxaline;2,5-dimethylselenophene;2,4-dimethyl-1,3-thiazole;2,5-dimethylthiophene;1,4-xylene
• SMILES: Cc1ccc(C)[se]1.Cc1ccc(C)c2c1C=CC2.Cc1ccc(C)c2nccnc12.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1ccc2c(ccc3cc(C)ccc32)c1.Cc1ccc2cc3ccc(C)cc3cc2c1.Cc1ccc2ccc(C)cc2c1.Cc1ccc2nc(C)ccc2c1.Cc1ccc2nc(C)cnc2c1.Cc1csc(C)n1.Cc1sc(C)c2ccccc12
• InChI: InChI=1S/2C16H14.C12H12.C11H11N.C11H12.2C10H10N2.C10H10S.C8H10.C7H9N.C6H8O.C6H8S.C6H8Se.C5H7NS/c1-11-3-7-15-13(9-11)5-6-14-10-12(2)4-8-16(14)15;1-11-3-5-13-9-14-6-4-12(2)8-16(14)10-15(13)7-11;1-9-3-5-11-6-4-10(2)8-12(11)7-9;1-8-3-6-11-10(7-8)5-4-9(2)12-11;1-8-6-7-9(2)11-5-3-4-10(8)11;1-7-3-4-9-10(5-7)11-6-8(2)12-9;1-7-3-4-8(2)10-9(7)11-5-6-12-10;1-7-9-5-3-4-6-10(9)8(2)11-7;1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)8-5-6;3*1-5-3-4-6(2)7-5;1-4-3-7-5(2)6-4/h2*3-10H,1-2H3;3-8H,1-2H3;3-7H,1-2H3;3-4,6-7H,5H2,1-2H3;2*3-6H,1-2H3;3-6H,1-2H3;3-6H,1-2H3;3-5H,1-2H3;3*3-4H,1-2H3;3H,1-2H3
• InChIKey: NHKWZBVITJEKEQ-UHFFFAOYSA-N
• XLogP: 37.80
• TPSA: 103.37 Ų
• H-Bond Acceptors: 11
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2042.83
LogP ≤ 5	37.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethylanthracene;1,3-dimethyl-2-benzothiophene;2,5-dimethylfuran;4,7-dimethyl-1H-indene;2,7-dimethylnaphthalene;2,7-dimethylphenanthrene;2,5-dimethylpyridine;2,6-dimethylquinoline;2,6-dimethylquinoxaline;5,8-dimethylquinoxaline;2,5-dimethylselenophene;2,4-dimethyl-1,3-thiazole;2,5-dimethylthiophene;1,4-xylene?

The IUPAC name of 2,7-dimethylanthracene;1,3-dimethyl-2-benzothiophene;2,5-dimethylfuran;4,7-dimethyl-1H-indene;2,7-dimethylnaphthalene;2,7-dimethylphenanthrene;2,5-dimethylpyridine;2,6-dimethylquinoline;2,6-dimethylquinoxaline;5,8-dimethylquinoxaline;2,5-dimethylselenophene;2,4-dimethyl-1,3-thiazole;2,5-dimethylthiophene;1,4-xylene (CID 159781634) is 2,7-dimethylanthracene;1,3-dimethyl-2-benzothiophene;2,5-dimethylfuran;4,7-dimethyl-1H-indene;2,7-dimethylnaphthalene;2,7-dimethylphenanthrene;2,5-dimethylpyridine;2,6-dimethylquinoline;2,6-dimethylquinoxaline;5,8-dimethylquinoxaline;2,5-dimethylselenophene;2,4-dimethyl-1,3-thiazole;2,5-dimethylthiophene;1,4-xylene.

What is the SMILES notation for 2,7-dimethylanthracene;1,3-dimethyl-2-benzothiophene;2,5-dimethylfuran;4,7-dimethyl-1H-indene;2,7-dimethylnaphthalene;2,7-dimethylphenanthrene;2,5-dimethylpyridine;2,6-dimethylquinoline;2,6-dimethylquinoxaline;5,8-dimethylquinoxaline;2,5-dimethylselenophene;2,4-dimethyl-1,3-thiazole;2,5-dimethylthiophene;1,4-xylene?

The canonical SMILES for 2,7-dimethylanthracene;1,3-dimethyl-2-benzothiophene;2,5-dimethylfuran;4,7-dimethyl-1H-indene;2,7-dimethylnaphthalene;2,7-dimethylphenanthrene;2,5-dimethylpyridine;2,6-dimethylquinoline;2,6-dimethylquinoxaline;5,8-dimethylquinoxaline;2,5-dimethylselenophene;2,4-dimethyl-1,3-thiazole;2,5-dimethylthiophene;1,4-xylene is Cc1ccc(C)[se]1.Cc1ccc(C)c2c1C=CC2.Cc1ccc(C)c2nccnc12.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1ccc2c(ccc3cc(C)ccc32)c1.Cc1ccc2cc3ccc(C)cc3cc2c1.Cc1ccc2ccc(C)cc2c1.Cc1ccc2nc(C)ccc2c1.Cc1ccc2nc(C)cnc2c1.Cc1csc(C)n1.Cc1sc(C)c2ccccc12.

What is the InChIKey of 2,7-dimethylanthracene;1,3-dimethyl-2-benzothiophene;2,5-dimethylfuran;4,7-dimethyl-1H-indene;2,7-dimethylnaphthalene;2,7-dimethylphenanthrene;2,5-dimethylpyridine;2,6-dimethylquinoline;2,6-dimethylquinoxaline;5,8-dimethylquinoxaline;2,5-dimethylselenophene;2,4-dimethyl-1,3-thiazole;2,5-dimethylthiophene;1,4-xylene?

The InChIKey is NHKWZBVITJEKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H14.C12H12.C11H11N.C11H12.2C10H10N2.C10H10S.C8H10.C7H9N.C6H8O.C6H8S.C6H8Se.C5H7NS/c1-11-3-7-15-13(9-11)5-6-14-10-12(2)4-8-16(14)15;1-11-3-5-13-9-14-6-4-12(2)8-16(14)10-15(13)7-11;1-9-3-5-11-6-4-10(2)8-12(11)7-9;1-8-3-6-11-10(7-8)5-4-9(2)12-11;1-8-6-7-9(2)11-5-3-4-10(8)11;1-7-3-4-9-10(5-7)11-6-8(2)12-9;1-7-3-4-8(2)10-9(7)11-5-6-12-10;1-7-9-5-3-4-6-10(9)8(2)11-7;1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)8-5-6;3*1-5-3-4-6(2)7-5;1-4-3-7-5(2)6-4/h2*3-10H,1-2H3;3-8H,1-2H3;3-7H,1-2H3;3-4,6-7H,5H2,1-2H3;2*3-6H,1-2H3;3-6H,1-2H3;3-6H,1-2H3;3-5H,1-2H3;3*3-4H,1-2H3;3H,1-2H3.

What are the key properties of 2,7-dimethylanthracene;1,3-dimethyl-2-benzothiophene;2,5-dimethylfuran;4,7-dimethyl-1H-indene;2,7-dimethylnaphthalene;2,7-dimethylphenanthrene;2,5-dimethylpyridine;2,6-dimethylquinoline;2,6-dimethylquinoxaline;5,8-dimethylquinoxaline;2,5-dimethylselenophene;2,4-dimethyl-1,3-thiazole;2,5-dimethylthiophene;1,4-xylene?

2,7-dimethylanthracene;1,3-dimethyl-2-benzothiophene;2,5-dimethylfuran;4,7-dimethyl-1H-indene;2,7-dimethylnaphthalene;2,7-dimethylphenanthrene;2,5-dimethylpyridine;2,6-dimethylquinoline;2,6-dimethylquinoxaline;5,8-dimethylquinoxaline;2,5-dimethylselenophene;2,4-dimethyl-1,3-thiazole;2,5-dimethylthiophene;1,4-xylene has a molecular weight of 2042.83 g/mol, XLogP of 37.80, 0 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2,7-dimethylanthracene;1,3-dimethyl-2-benzothiophene;2,5-dimethylfuran;4,7-dimethyl-1H-indene;2,7-dimethylnaphthalene;2,7-dimethylphenanthrene;2,5-dimethylpyridine;2,6-dimethylquinoline;2,6-dimethylquinoxaline;5,8-dimethylquinoxaline;2,5-dimethylselenophene;2,4-dimethyl-1,3-thiazole;2,5-dimethylthiophene;1,4-xylene is sourced from PubChem (CID 159781634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).