2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzofuran;6-chloro-2,3-dimethyl-1H-indole;6-chloro-2-methyl-1H-benzimidazole;4-chloro-2-methyl-1-benzofuran;4-chloro-2-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;3-chloro-6-methyl-1H-indole;4-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole;2-chloro-5-[(E)-prop-1-enyl]thiophene;2-chloro-5-propylthiophene;2-(4-chlorothiophen-2-yl)-5-methylthiophene;2,6-dimethylquinoline;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;bis(2-methylnaphthalene);6-methylquinoline

C226H200Br2Cl16F2N14O2S7 — CID 159285008

About 2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzofuran;6-chloro-2,3-dimethyl-1H-indole;6-chloro-2-methyl-1H-benzimidazole;4-chloro-2-methyl-1-benzofuran;4-chloro-2-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;3-chloro-6-methyl-1H-indole;4-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole;2-chloro-5-[(E)-prop-1-enyl]thiophene;2-chloro-5-propylthiophene;2-(4-chlorothiophen-2-yl)-5-methylthiophene;2,6-dimethylquinoline;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;bis(2-methylnaphthalene);6-methylquinoline

2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzofuran;6-chloro-2,3-dimethyl-1H-indole;6-chloro-2-methyl-1H-benzimidazole;4-chloro-2-methyl-1-benzofuran;4-chloro-2-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;3-chloro-6-methyl-1H-indole;4-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole;2-chloro-5-[(E)-prop-1-enyl]thiophene;2-chloro-5-propylthiophene;2-(4-chlorothiophen-2-yl)-5-methylthiophene;2,6-dimethylquinoline;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;bis(2-methylnaphthalene);6-methylquinoline (PubChem CID 159285008) has the molecular formula C226H200Br2Cl16F2N14O2S7 and a molecular weight of 4133.70 g/mol. Its IUPAC name is 2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzofuran;6-chloro-2,3-dimethyl-1H-indole;6-chloro-2-methyl-1H-benzimidazole;4-chloro-2-methyl-1-benzofuran;4-chloro-2-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;3-chloro-6-methyl-1H-indole;4-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole;2-chloro-5-[(E)-prop-1-enyl]thiophene;2-chloro-5-propylthiophene;2-(4-chlorothiophen-2-yl)-5-methylthiophene;2,6-dimethylquinoline;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;bis(2-methylnaphthalene);6-methylquinoline.

Molecular Properties

• Compound Name: 2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzofuran;6-chloro-2,3-dimethyl-1H-indole;6-chloro-2-methyl-1H-benzimidazole;4-chloro-2-methyl-1-benzofuran;4-chloro-2-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;3-chloro-6-methyl-1H-indole;4-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole;2-chloro-5-[(E)-prop-1-enyl]thiophene;2-chloro-5-propylthiophene;2-(4-chlorothiophen-2-yl)-5-methylthiophene;2,6-dimethylquinoline;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;bis(2-methylnaphthalene);6-methylquinoline
• PubChem CID: 159285008
• Molecular Formula: C226H200Br2Cl16F2N14O2S7
• Molecular Weight: 4133.70 g/mol
• Exact Mass: 4120.74
• IUPAC Name: 2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzofuran;6-chloro-2,3-dimethyl-1H-indole;6-chloro-2-methyl-1H-benzimidazole;4-chloro-2-methyl-1-benzofuran;4-chloro-2-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;3-chloro-6-methyl-1H-indole;4-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole;2-chloro-5-[(E)-prop-1-enyl]thiophene;2-chloro-5-propylthiophene;2-(4-chlorothiophen-2-yl)-5-methylthiophene;2,6-dimethylquinoline;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;bis(2-methylnaphthalene);6-methylquinoline
• SMILES: C/C=C/c1ccc(Cl)s1.CCCc1ccc(Cl)s1.Cc1[nH]c2cc(Cl)ccc2c1C.Cc1c[nH]c2cc(Cl)ccc12.Cc1c[nH]c2ccc(Cl)cc12.Cc1cc2c(Cl)cccc2[nH]1.Cc1cc2c(Cl)cccc2o1.Cc1cc2c(Cl)cccc2s1.Cc1cc2cc(Cl)ccc2[nH]1.Cc1cc2ccc(Cl)cc2[nH]1.Cc1ccc(-c2cc(Cl)cs2)s1.Cc1ccc(-c2nnc(Cl)s2)s1.Cc1ccc2[nH]cc(Cl)c2c1.Cc1ccc2c(Cl)c[nH]c2c1.Cc1ccc2cc(Br)ccc2c1.Cc1ccc2cc(F)ccc2c1.Cc1ccc2ccc(Br)cc2c1.Cc1ccc2ccc(F)cc2c1.Cc1ccc2ccccc2c1.Cc1ccc2ccccc2c1.Cc1ccc2nc(C)ccc2c1.Cc1ccc2ncccc2c1.Cc1nc2ccc(Cl)cc2[nH]1.Cc1oc2cc(Cl)ccc2c1C
• InChI: InChI=1S/2C11H9Br.2C11H9F.C11H11N.2C11H10.C10H10ClN.C10H9ClO.C10H9N.7C9H8ClN.C9H7ClO.C9H7ClS2.C9H7ClS.C8H7ClN2.C7H5ClN2S2.C7H9ClS.C7H7ClS/c1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-8-3-6-11-10(7-8)5-4-9(2)12-11;2*1-9-6-7-10-4-2-3-5-11(10)8-9;2*1-6-7(2)12-10-5-8(11)3-4-9(6)10;1-8-4-5-10-9(7-8)3-2-6-11-10;1-6-5-11-9-3-2-7(10)4-8(6)9;1-6-5-11-9-4-7(10)2-3-8(6)9;1-6-4-7-5-8(10)2-3-9(7)11-6;1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-2-3-9-7(4-6)8(10)5-11-9;1-6-2-3-7-8(10)5-11-9(7)4-6;2*1-6-5-7-8(10)3-2-4-9(7)11-6;1-6-2-3-8(12-6)9-4-7(10)5-11-9;1-6-5-7-8(10)3-2-4-9(7)11-6;1-5-10-7-3-2-6(9)4-8(7)11-5;1-4-2-3-5(11-4)6-9-10-7(8)12-6;2*1-2-3-6-4-5-7(8)9-6/h4*2-7H,1H3;3-7H,1-2H3;2*2-8H,1H3;3-5,12H,1-2H3;3-5H,1-2H3;2-7H,1H3;7*2-5,11H,1H3;2-5H,1H3;2-5H,1H3;2-5H,1H3;2-4H,1H3,(H,10,11);2-3H,1H3;4-5H,2-3H2,1H3;2-5H,1H3/b;;;;;;;;;;;;;;;;;;;;;;;3-2+
• InChIKey: KZKBGJXAEVMEHC-VRUHNITNSA-N
• XLogP: 79.37
• TPSA: 232.84 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 14
• Rotatable Bonds: 5
• Heavy Atoms: 269
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4133.70
LogP ≤ 5	79.37
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzofuran;6-chloro-2,3-dimethyl-1H-indole;6-chloro-2-methyl-1H-benzimidazole;4-chloro-2-methyl-1-benzofuran;4-chloro-2-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;3-chloro-6-methyl-1H-indole;4-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole;2-chloro-5-[(E)-prop-1-enyl]thiophene;2-chloro-5-propylthiophene;2-(4-chlorothiophen-2-yl)-5-methylthiophene;2,6-dimethylquinoline;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;bis(2-methylnaphthalene);6-methylquinoline?

The IUPAC name of 2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzofuran;6-chloro-2,3-dimethyl-1H-indole;6-chloro-2-methyl-1H-benzimidazole;4-chloro-2-methyl-1-benzofuran;4-chloro-2-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;3-chloro-6-methyl-1H-indole;4-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole;2-chloro-5-[(E)-prop-1-enyl]thiophene;2-chloro-5-propylthiophene;2-(4-chlorothiophen-2-yl)-5-methylthiophene;2,6-dimethylquinoline;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;bis(2-methylnaphthalene);6-methylquinoline (CID 159285008) is 2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzofuran;6-chloro-2,3-dimethyl-1H-indole;6-chloro-2-methyl-1H-benzimidazole;4-chloro-2-methyl-1-benzofuran;4-chloro-2-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;3-chloro-6-methyl-1H-indole;4-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole;2-chloro-5-[(E)-prop-1-enyl]thiophene;2-chloro-5-propylthiophene;2-(4-chlorothiophen-2-yl)-5-methylthiophene;2,6-dimethylquinoline;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;bis(2-methylnaphthalene);6-methylquinoline.

What is the SMILES notation for 2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzofuran;6-chloro-2,3-dimethyl-1H-indole;6-chloro-2-methyl-1H-benzimidazole;4-chloro-2-methyl-1-benzofuran;4-chloro-2-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;3-chloro-6-methyl-1H-indole;4-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole;2-chloro-5-[(E)-prop-1-enyl]thiophene;2-chloro-5-propylthiophene;2-(4-chlorothiophen-2-yl)-5-methylthiophene;2,6-dimethylquinoline;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;bis(2-methylnaphthalene);6-methylquinoline?

The canonical SMILES for 2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzofuran;6-chloro-2,3-dimethyl-1H-indole;6-chloro-2-methyl-1H-benzimidazole;4-chloro-2-methyl-1-benzofuran;4-chloro-2-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;3-chloro-6-methyl-1H-indole;4-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole;2-chloro-5-[(E)-prop-1-enyl]thiophene;2-chloro-5-propylthiophene;2-(4-chlorothiophen-2-yl)-5-methylthiophene;2,6-dimethylquinoline;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;bis(2-methylnaphthalene);6-methylquinoline is C/C=C/c1ccc(Cl)s1.CCCc1ccc(Cl)s1.Cc1[nH]c2cc(Cl)ccc2c1C.Cc1c[nH]c2cc(Cl)ccc12.Cc1c[nH]c2ccc(Cl)cc12.Cc1cc2c(Cl)cccc2[nH]1.Cc1cc2c(Cl)cccc2o1.Cc1cc2c(Cl)cccc2s1.Cc1cc2cc(Cl)ccc2[nH]1.Cc1cc2ccc(Cl)cc2[nH]1.Cc1ccc(-c2cc(Cl)cs2)s1.Cc1ccc(-c2nnc(Cl)s2)s1.Cc1ccc2[nH]cc(Cl)c2c1.Cc1ccc2c(Cl)c[nH]c2c1.Cc1ccc2cc(Br)ccc2c1.Cc1ccc2cc(F)ccc2c1.Cc1ccc2ccc(Br)cc2c1.Cc1ccc2ccc(F)cc2c1.Cc1ccc2ccccc2c1.Cc1ccc2ccccc2c1.Cc1ccc2nc(C)ccc2c1.Cc1ccc2ncccc2c1.Cc1nc2ccc(Cl)cc2[nH]1.Cc1oc2cc(Cl)ccc2c1C.

What is the InChIKey of 2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzofuran;6-chloro-2,3-dimethyl-1H-indole;6-chloro-2-methyl-1H-benzimidazole;4-chloro-2-methyl-1-benzofuran;4-chloro-2-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;3-chloro-6-methyl-1H-indole;4-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole;2-chloro-5-[(E)-prop-1-enyl]thiophene;2-chloro-5-propylthiophene;2-(4-chlorothiophen-2-yl)-5-methylthiophene;2,6-dimethylquinoline;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;bis(2-methylnaphthalene);6-methylquinoline?

The InChIKey is KZKBGJXAEVMEHC-VRUHNITNSA-N. The full InChI is InChI=1S/2C11H9Br.2C11H9F.C11H11N.2C11H10.C10H10ClN.C10H9ClO.C10H9N.7C9H8ClN.C9H7ClO.C9H7ClS2.C9H7ClS.C8H7ClN2.C7H5ClN2S2.C7H9ClS.C7H7ClS/c1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-8-3-6-11-10(7-8)5-4-9(2)12-11;2*1-9-6-7-10-4-2-3-5-11(10)8-9;2*1-6-7(2)12-10-5-8(11)3-4-9(6)10;1-8-4-5-10-9(7-8)3-2-6-11-10;1-6-5-11-9-3-2-7(10)4-8(6)9;1-6-5-11-9-4-7(10)2-3-8(6)9;1-6-4-7-5-8(10)2-3-9(7)11-6;1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-2-3-9-7(4-6)8(10)5-11-9;1-6-2-3-7-8(10)5-11-9(7)4-6;2*1-6-5-7-8(10)3-2-4-9(7)11-6;1-6-2-3-8(12-6)9-4-7(10)5-11-9;1-6-5-7-8(10)3-2-4-9(7)11-6;1-5-10-7-3-2-6(9)4-8(7)11-5;1-4-2-3-5(11-4)6-9-10-7(8)12-6;2*1-2-3-6-4-5-7(8)9-6/h4*2-7H,1H3;3-7H,1-2H3;2*2-8H,1H3;3-5,12H,1-2H3;3-5H,1-2H3;2-7H,1H3;7*2-5,11H,1H3;2-5H,1H3;2-5H,1H3;2-5H,1H3;2-4H,1H3,(H,10,11);2-3H,1H3;4-5H,2-3H2,1H3;2-5H,1H3/b;;;;;;;;;;;;;;;;;;;;;;;3-2+.

What are the key properties of 2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzofuran;6-chloro-2,3-dimethyl-1H-indole;6-chloro-2-methyl-1H-benzimidazole;4-chloro-2-methyl-1-benzofuran;4-chloro-2-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;3-chloro-6-methyl-1H-indole;4-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole;2-chloro-5-[(E)-prop-1-enyl]thiophene;2-chloro-5-propylthiophene;2-(4-chlorothiophen-2-yl)-5-methylthiophene;2,6-dimethylquinoline;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;bis(2-methylnaphthalene);6-methylquinoline?

2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzofuran;6-chloro-2,3-dimethyl-1H-indole;6-chloro-2-methyl-1H-benzimidazole;4-chloro-2-methyl-1-benzofuran;4-chloro-2-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;3-chloro-6-methyl-1H-indole;4-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole;2-chloro-5-[(E)-prop-1-enyl]thiophene;2-chloro-5-propylthiophene;2-(4-chlorothiophen-2-yl)-5-methylthiophene;2,6-dimethylquinoline;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;bis(2-methylnaphthalene);6-methylquinoline has a molecular weight of 4133.70 g/mol, XLogP of 79.37, 5 rotatable bonds, 9 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzofuran;6-chloro-2,3-dimethyl-1H-indole;6-chloro-2-methyl-1H-benzimidazole;4-chloro-2-methyl-1-benzofuran;4-chloro-2-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;3-chloro-6-methyl-1H-indole;4-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole;2-chloro-5-[(E)-prop-1-enyl]thiophene;2-chloro-5-propylthiophene;2-(4-chlorothiophen-2-yl)-5-methylthiophene;2,6-dimethylquinoline;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;bis(2-methylnaphthalene);6-methylquinoline is sourced from PubChem (CID 159285008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).