bis(1-benzofuran);bis(1-benzothiophene);2,3-di(propan-2-yl)-1-benzofuran;2,3-di(propan-2-yl)-1-benzothiophene;furan;1-methyl-2,3-di(propan-2-yl)indole;1-methylimidazole;bis(1-methylindole);(2-methylpropane);1-methylpyrazole;1-methylpyrrole;4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene

C323H601N27O8S7 — CID 160765402

About bis(1-benzofuran);bis(1-benzothiophene);2,3-di(propan-2-yl)-1-benzofuran;2,3-di(propan-2-yl)-1-benzothiophene;furan;1-methyl-2,3-di(propan-2-yl)indole;1-methylimidazole;bis(1-methylindole);(2-methylpropane);1-methylpyrazole;1-methylpyrrole;4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene

bis(1-benzofuran);bis(1-benzothiophene);2,3-di(propan-2-yl)-1-benzofuran;2,3-di(propan-2-yl)-1-benzothiophene;furan;1-methyl-2,3-di(propan-2-yl)indole;1-methylimidazole;bis(1-methylindole);(2-methylpropane);1-methylpyrazole;1-methylpyrrole;4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene (PubChem CID 160765402) has the molecular formula C323H601N27O8S7 and a molecular weight of 5216.01 g/mol. Its IUPAC name is bis(1-benzofuran);bis(1-benzothiophene);2,3-di(propan-2-yl)-1-benzofuran;2,3-di(propan-2-yl)-1-benzothiophene;furan;1-methyl-2,3-di(propan-2-yl)indole;1-methylimidazole;bis(1-methylindole);(2-methylpropane);1-methylpyrazole;1-methylpyrrole;4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene.

Molecular Properties

• Compound Name: bis(1-benzofuran);bis(1-benzothiophene);2,3-di(propan-2-yl)-1-benzofuran;2,3-di(propan-2-yl)-1-benzothiophene;furan;1-methyl-2,3-di(propan-2-yl)indole;1-methylimidazole;bis(1-methylindole);(2-methylpropane);1-methylpyrazole;1-methylpyrrole;4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene
• PubChem CID: 160765402
• Molecular Formula: C323H601N27O8S7
• Molecular Weight: 5216.01 g/mol
• Exact Mass: 5211.55
• IUPAC Name: bis(1-benzofuran);bis(1-benzothiophene);2,3-di(propan-2-yl)-1-benzofuran;2,3-di(propan-2-yl)-1-benzothiophene;furan;1-methyl-2,3-di(propan-2-yl)indole;1-methylimidazole;bis(1-methylindole);(2-methylpropane);1-methylpyrazole;1-methylpyrrole;4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene
• SMILES: CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1c(C(C)C)n(C)c2ccccc12.CC(C)c1oc2ccccc2c1C(C)C.CC(C)c1sc2ccccc2c1C(C)C.Cn1ccc2ccccc21.Cn1ccc2ccccc21.Cn1cccc1.Cn1cccn1.Cn1ccnc1.Cn1cnnc1.c1ccc2occc2c1.c1ccc2occc2c1.c1ccc2sccc2c1.c1ccc2sccc2c1.c1ccncc1.c1ccoc1.c1ccsc1.c1cnccn1.c1cncnc1.c1cnoc1.c1cocn1.c1cscn1.c1ncon1.c1ncsn1.c1nnco1.c1nncs1
• InChI: InChI=1S/C15H21N.C14H18O.C14H18S.2C9H9N.2C8H6O.2C8H6S.C5H7N.C5H5N.2C4H6N2.2C4H4N2.C4H4O.C4H4S.44C4H10.C3H5N3.2C3H3NO.C3H3NS.2C2H2N2O.2C2H2N2S/c1-10(2)14-12-8-6-7-9-13(12)16(5)15(14)11(3)4;2*1-9(2)13-11-7-5-6-8-12(11)15-14(13)10(3)4;2*1-10-7-6-8-4-2-3-5-9(8)10;4*1-2-4-8-7(3-1)5-6-9-8;1-6-4-2-3-5-6;1-2-4-6-5-3-1;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-2-6-4-3-5-1;1-2-5-4-6-3-1;2*1-2-4-5-3-1;44*1-4(2)3;1-6-2-4-5-3-6;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-4-2-5-1;1-3-2-5-4-1;1-3-4-2-5-1;1-3-2-5-4-1/h6-11H,1-5H3;2*5-10H,1-4H3;2*2-7H,1H3;4*1-6H;2-5H,1H3;1-5H;2*2-4H,1H3;2*1-4H;2*1-4H;44*4H,1-3H3;2-3H,1H3;3*1-3H;4*1-2H
• InChIKey: RYPUEGZWRFWTFB-UHFFFAOYSA-N
• XLogP: 112.87
• TPSA: 397.43 Ų
• H-Bond Acceptors: 42
• Rotatable Bonds: 6
• Heavy Atoms: 365
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5216.01
LogP ≤ 5	112.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of bis(1-benzofuran);bis(1-benzothiophene);2,3-di(propan-2-yl)-1-benzofuran;2,3-di(propan-2-yl)-1-benzothiophene;furan;1-methyl-2,3-di(propan-2-yl)indole;1-methylimidazole;bis(1-methylindole);(2-methylpropane);1-methylpyrazole;1-methylpyrrole;4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene?

The IUPAC name of bis(1-benzofuran);bis(1-benzothiophene);2,3-di(propan-2-yl)-1-benzofuran;2,3-di(propan-2-yl)-1-benzothiophene;furan;1-methyl-2,3-di(propan-2-yl)indole;1-methylimidazole;bis(1-methylindole);(2-methylpropane);1-methylpyrazole;1-methylpyrrole;4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene (CID 160765402) is bis(1-benzofuran);bis(1-benzothiophene);2,3-di(propan-2-yl)-1-benzofuran;2,3-di(propan-2-yl)-1-benzothiophene;furan;1-methyl-2,3-di(propan-2-yl)indole;1-methylimidazole;bis(1-methylindole);(2-methylpropane);1-methylpyrazole;1-methylpyrrole;4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene.

What is the SMILES notation for bis(1-benzofuran);bis(1-benzothiophene);2,3-di(propan-2-yl)-1-benzofuran;2,3-di(propan-2-yl)-1-benzothiophene;furan;1-methyl-2,3-di(propan-2-yl)indole;1-methylimidazole;bis(1-methylindole);(2-methylpropane);1-methylpyrazole;1-methylpyrrole;4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene?

The canonical SMILES for bis(1-benzofuran);bis(1-benzothiophene);2,3-di(propan-2-yl)-1-benzofuran;2,3-di(propan-2-yl)-1-benzothiophene;furan;1-methyl-2,3-di(propan-2-yl)indole;1-methylimidazole;bis(1-methylindole);(2-methylpropane);1-methylpyrazole;1-methylpyrrole;4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene is CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1c(C(C)C)n(C)c2ccccc12.CC(C)c1oc2ccccc2c1C(C)C.CC(C)c1sc2ccccc2c1C(C)C.Cn1ccc2ccccc21.Cn1ccc2ccccc21.Cn1cccc1.Cn1cccn1.Cn1ccnc1.Cn1cnnc1.c1ccc2occc2c1.c1ccc2occc2c1.c1ccc2sccc2c1.c1ccc2sccc2c1.c1ccncc1.c1ccoc1.c1ccsc1.c1cnccn1.c1cncnc1.c1cnoc1.c1cocn1.c1cscn1.c1ncon1.c1ncsn1.c1nnco1.c1nncs1.

What is the InChIKey of bis(1-benzofuran);bis(1-benzothiophene);2,3-di(propan-2-yl)-1-benzofuran;2,3-di(propan-2-yl)-1-benzothiophene;furan;1-methyl-2,3-di(propan-2-yl)indole;1-methylimidazole;bis(1-methylindole);(2-methylpropane);1-methylpyrazole;1-methylpyrrole;4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene?

The InChIKey is RYPUEGZWRFWTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N.C14H18O.C14H18S.2C9H9N.2C8H6O.2C8H6S.C5H7N.C5H5N.2C4H6N2.2C4H4N2.C4H4O.C4H4S.44C4H10.C3H5N3.2C3H3NO.C3H3NS.2C2H2N2O.2C2H2N2S/c1-10(2)14-12-8-6-7-9-13(12)16(5)15(14)11(3)4;2*1-9(2)13-11-7-5-6-8-12(11)15-14(13)10(3)4;2*1-10-7-6-8-4-2-3-5-9(8)10;4*1-2-4-8-7(3-1)5-6-9-8;1-6-4-2-3-5-6;1-2-4-6-5-3-1;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-2-6-4-3-5-1;1-2-5-4-6-3-1;2*1-2-4-5-3-1;44*1-4(2)3;1-6-2-4-5-3-6;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-4-2-5-1;1-3-2-5-4-1;1-3-4-2-5-1;1-3-2-5-4-1/h6-11H,1-5H3;2*5-10H,1-4H3;2*2-7H,1H3;4*1-6H;2-5H,1H3;1-5H;2*2-4H,1H3;2*1-4H;2*1-4H;44*4H,1-3H3;2-3H,1H3;3*1-3H;4*1-2H.

What are the key properties of bis(1-benzofuran);bis(1-benzothiophene);2,3-di(propan-2-yl)-1-benzofuran;2,3-di(propan-2-yl)-1-benzothiophene;furan;1-methyl-2,3-di(propan-2-yl)indole;1-methylimidazole;bis(1-methylindole);(2-methylpropane);1-methylpyrazole;1-methylpyrrole;4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene?

bis(1-benzofuran);bis(1-benzothiophene);2,3-di(propan-2-yl)-1-benzofuran;2,3-di(propan-2-yl)-1-benzothiophene;furan;1-methyl-2,3-di(propan-2-yl)indole;1-methylimidazole;bis(1-methylindole);(2-methylpropane);1-methylpyrazole;1-methylpyrrole;4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene has a molecular weight of 5216.01 g/mol, XLogP of 112.87, 6 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-benzofuran);bis(1-benzothiophene);2,3-di(propan-2-yl)-1-benzofuran;2,3-di(propan-2-yl)-1-benzothiophene;furan;1-methyl-2,3-di(propan-2-yl)indole;1-methylimidazole;bis(1-methylindole);(2-methylpropane);1-methylpyrazole;1-methylpyrrole;4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene is sourced from PubChem (CID 160765402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).