2,5-dimethylfuran;bis(1,3-dimethylnaphthalene);1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,9-dimethylphenanthrene;1,3-dimethyl-5-phenylbenzene;2,6-dimethylpyridine;3,5-dimethylpyridine;2,5-dimethylthiophene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1,2,4,5-tetramethylbenzene;1,3-xylene;1,4-xylene

C184H202N2OS — CID 157170438

About 2,5-dimethylfuran;bis(1,3-dimethylnaphthalene);1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,9-dimethylphenanthrene;1,3-dimethyl-5-phenylbenzene;2,6-dimethylpyridine;3,5-dimethylpyridine;2,5-dimethylthiophene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1,2,4,5-tetramethylbenzene;1,3-xylene;1,4-xylene

2,5-dimethylfuran;bis(1,3-dimethylnaphthalene);1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,9-dimethylphenanthrene;1,3-dimethyl-5-phenylbenzene;2,6-dimethylpyridine;3,5-dimethylpyridine;2,5-dimethylthiophene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1,2,4,5-tetramethylbenzene;1,3-xylene;1,4-xylene (PubChem CID 157170438) has the molecular formula C184H202N2OS and a molecular weight of 2489.72 g/mol. Its IUPAC name is 2,5-dimethylfuran;bis(1,3-dimethylnaphthalene);1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,9-dimethylphenanthrene;1,3-dimethyl-5-phenylbenzene;2,6-dimethylpyridine;3,5-dimethylpyridine;2,5-dimethylthiophene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1,2,4,5-tetramethylbenzene;1,3-xylene;1,4-xylene.

Molecular Properties

• Compound Name: 2,5-dimethylfuran;bis(1,3-dimethylnaphthalene);1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,9-dimethylphenanthrene;1,3-dimethyl-5-phenylbenzene;2,6-dimethylpyridine;3,5-dimethylpyridine;2,5-dimethylthiophene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1,2,4,5-tetramethylbenzene;1,3-xylene;1,4-xylene
• PubChem CID: 157170438
• Molecular Formula: C184H202N2OS
• Molecular Weight: 2489.72 g/mol
• Exact Mass: 2487.55
• IUPAC Name: 2,5-dimethylfuran;bis(1,3-dimethylnaphthalene);1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,9-dimethylphenanthrene;1,3-dimethyl-5-phenylbenzene;2,6-dimethylpyridine;3,5-dimethylpyridine;2,5-dimethylthiophene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1,2,4,5-tetramethylbenzene;1,3-xylene;1,4-xylene
• SMILES: Cc1c(C)c(C)c(C)c(C)c1C.Cc1cc(C)c(C)cc1C.Cc1cc(C)c2ccccc2c1.Cc1cc(C)c2ccccc2c1.Cc1cc(C)cc(-c2ccccc2)c1.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(C)c2ccccc12.Cc1ccc(C)cc1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1ccc2c(ccc3cc(C)ccc32)c1.Cc1ccc2cc(C)c3ccccc3c2c1.Cc1ccc2cc(C)ccc2c1.Cc1cccc(C)c1.Cc1cccc(C)n1.Cc1cccc2c(C)cccc12.Cc1cncc(C)c1
• InChI: InChI=1S/2C16H14.2C14H14.5C12H12.C12H18.C10H14.2C8H10.2C7H9N.C6H8O.C6H8S/c1-11-3-7-15-13(9-11)5-6-14-10-12(2)4-8-16(14)15;1-11-7-8-13-10-12(2)14-5-3-4-6-15(14)16(13)9-11;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-11-8-12(2)10-14(9-11)13-6-4-3-5-7-13;1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-9-5-3-8-12-10(2)6-4-7-11(9)12;2*1-9-7-10(2)12-6-4-3-5-11(12)8-9;1-9-7-8-10(2)12-6-4-3-5-11(9)12;1-7-8(2)10(4)12(6)11(5)9(7)3;1-7-5-9(3)10(4)6-8(7)2;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-6-3-7(2)5-8-4-6;1-6-4-3-5-7(2)8-6;2*1-5-3-4-6(2)7-5/h2*3-10H,1-2H3;2*3-10H,1-2H3;5*3-8H,1-2H3;1-6H3;5-6H,1-4H3;2*3-6H,1-2H3;2*3-5H,1-2H3;2*3-4H,1-2H3
• InChIKey: ANKCBOSVKBDBBH-UHFFFAOYSA-N
• XLogP: 53.17
• TPSA: 38.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2489.72
LogP ≤ 5	53.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylfuran;bis(1,3-dimethylnaphthalene);1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,9-dimethylphenanthrene;1,3-dimethyl-5-phenylbenzene;2,6-dimethylpyridine;3,5-dimethylpyridine;2,5-dimethylthiophene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1,2,4,5-tetramethylbenzene;1,3-xylene;1,4-xylene?

The IUPAC name of 2,5-dimethylfuran;bis(1,3-dimethylnaphthalene);1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,9-dimethylphenanthrene;1,3-dimethyl-5-phenylbenzene;2,6-dimethylpyridine;3,5-dimethylpyridine;2,5-dimethylthiophene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1,2,4,5-tetramethylbenzene;1,3-xylene;1,4-xylene (CID 157170438) is 2,5-dimethylfuran;bis(1,3-dimethylnaphthalene);1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,9-dimethylphenanthrene;1,3-dimethyl-5-phenylbenzene;2,6-dimethylpyridine;3,5-dimethylpyridine;2,5-dimethylthiophene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1,2,4,5-tetramethylbenzene;1,3-xylene;1,4-xylene.

What is the SMILES notation for 2,5-dimethylfuran;bis(1,3-dimethylnaphthalene);1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,9-dimethylphenanthrene;1,3-dimethyl-5-phenylbenzene;2,6-dimethylpyridine;3,5-dimethylpyridine;2,5-dimethylthiophene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1,2,4,5-tetramethylbenzene;1,3-xylene;1,4-xylene?

The canonical SMILES for 2,5-dimethylfuran;bis(1,3-dimethylnaphthalene);1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,9-dimethylphenanthrene;1,3-dimethyl-5-phenylbenzene;2,6-dimethylpyridine;3,5-dimethylpyridine;2,5-dimethylthiophene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1,2,4,5-tetramethylbenzene;1,3-xylene;1,4-xylene is Cc1c(C)c(C)c(C)c(C)c1C.Cc1cc(C)c(C)cc1C.Cc1cc(C)c2ccccc2c1.Cc1cc(C)c2ccccc2c1.Cc1cc(C)cc(-c2ccccc2)c1.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(C)c2ccccc12.Cc1ccc(C)cc1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1ccc2c(ccc3cc(C)ccc32)c1.Cc1ccc2cc(C)c3ccccc3c2c1.Cc1ccc2cc(C)ccc2c1.Cc1cccc(C)c1.Cc1cccc(C)n1.Cc1cccc2c(C)cccc12.Cc1cncc(C)c1.

What is the InChIKey of 2,5-dimethylfuran;bis(1,3-dimethylnaphthalene);1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,9-dimethylphenanthrene;1,3-dimethyl-5-phenylbenzene;2,6-dimethylpyridine;3,5-dimethylpyridine;2,5-dimethylthiophene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1,2,4,5-tetramethylbenzene;1,3-xylene;1,4-xylene?

The InChIKey is ANKCBOSVKBDBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H14.2C14H14.5C12H12.C12H18.C10H14.2C8H10.2C7H9N.C6H8O.C6H8S/c1-11-3-7-15-13(9-11)5-6-14-10-12(2)4-8-16(14)15;1-11-7-8-13-10-12(2)14-5-3-4-6-15(14)16(13)9-11;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-11-8-12(2)10-14(9-11)13-6-4-3-5-7-13;1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-9-5-3-8-12-10(2)6-4-7-11(9)12;2*1-9-7-10(2)12-6-4-3-5-11(12)8-9;1-9-7-8-10(2)12-6-4-3-5-11(9)12;1-7-8(2)10(4)12(6)11(5)9(7)3;1-7-5-9(3)10(4)6-8(7)2;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-6-3-7(2)5-8-4-6;1-6-4-3-5-7(2)8-6;2*1-5-3-4-6(2)7-5/h2*3-10H,1-2H3;2*3-10H,1-2H3;5*3-8H,1-2H3;1-6H3;5-6H,1-4H3;2*3-6H,1-2H3;2*3-5H,1-2H3;2*3-4H,1-2H3.

What are the key properties of 2,5-dimethylfuran;bis(1,3-dimethylnaphthalene);1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,9-dimethylphenanthrene;1,3-dimethyl-5-phenylbenzene;2,6-dimethylpyridine;3,5-dimethylpyridine;2,5-dimethylthiophene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1,2,4,5-tetramethylbenzene;1,3-xylene;1,4-xylene?

2,5-dimethylfuran;bis(1,3-dimethylnaphthalene);1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,9-dimethylphenanthrene;1,3-dimethyl-5-phenylbenzene;2,6-dimethylpyridine;3,5-dimethylpyridine;2,5-dimethylthiophene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1,2,4,5-tetramethylbenzene;1,3-xylene;1,4-xylene has a molecular weight of 2489.72 g/mol, XLogP of 53.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethylfuran;bis(1,3-dimethylnaphthalene);1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,9-dimethylphenanthrene;1,3-dimethyl-5-phenylbenzene;2,6-dimethylpyridine;3,5-dimethylpyridine;2,5-dimethylthiophene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1,2,4,5-tetramethylbenzene;1,3-xylene;1,4-xylene is sourced from PubChem (CID 157170438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).