4-(2-methylphenyl)dibenzofuran;2-(2-methylphenyl)dibenzothiophene;2-(3-methylphenyl)dibenzothiophene;2-(4-methylphenyl)dibenzothiophene;4-(3-methylphenyl)dibenzothiophene;4-(4-methylphenyl)dibenzothiophene

C114H84OS5 — CID 158111097

About 4-(2-methylphenyl)dibenzofuran;2-(2-methylphenyl)dibenzothiophene;2-(3-methylphenyl)dibenzothiophene;2-(4-methylphenyl)dibenzothiophene;4-(3-methylphenyl)dibenzothiophene;4-(4-methylphenyl)dibenzothiophene

4-(2-methylphenyl)dibenzofuran;2-(2-methylphenyl)dibenzothiophene;2-(3-methylphenyl)dibenzothiophene;2-(4-methylphenyl)dibenzothiophene;4-(3-methylphenyl)dibenzothiophene;4-(4-methylphenyl)dibenzothiophene (PubChem CID 158111097) has the molecular formula C114H84OS5 and a molecular weight of 1630.26 g/mol. Its IUPAC name is 4-(2-methylphenyl)dibenzofuran;2-(2-methylphenyl)dibenzothiophene;2-(3-methylphenyl)dibenzothiophene;2-(4-methylphenyl)dibenzothiophene;4-(3-methylphenyl)dibenzothiophene;4-(4-methylphenyl)dibenzothiophene.

Molecular Properties

• Compound Name: 4-(2-methylphenyl)dibenzofuran;2-(2-methylphenyl)dibenzothiophene;2-(3-methylphenyl)dibenzothiophene;2-(4-methylphenyl)dibenzothiophene;4-(3-methylphenyl)dibenzothiophene;4-(4-methylphenyl)dibenzothiophene
• PubChem CID: 158111097
• Molecular Formula: C114H84OS5
• Molecular Weight: 1630.26 g/mol
• Exact Mass: 1628.51
• IUPAC Name: 4-(2-methylphenyl)dibenzofuran;2-(2-methylphenyl)dibenzothiophene;2-(3-methylphenyl)dibenzothiophene;2-(4-methylphenyl)dibenzothiophene;4-(3-methylphenyl)dibenzothiophene;4-(4-methylphenyl)dibenzothiophene
• SMILES: Cc1ccc(-c2ccc3sc4ccccc4c3c2)cc1.Cc1ccc(-c2cccc3c2sc2ccccc23)cc1.Cc1cccc(-c2ccc3sc4ccccc4c3c2)c1.Cc1cccc(-c2cccc3c2sc2ccccc23)c1.Cc1ccccc1-c1ccc2sc3ccccc3c2c1.Cc1ccccc1-c1cccc2c1oc1ccccc12
• InChI: InChI=1S/C19H14O.5C19H14S/c1-13-7-2-3-8-14(13)16-10-6-11-17-15-9-4-5-12-18(15)20-19(16)17;1-13-6-4-7-14(12-13)15-9-5-10-17-16-8-2-3-11-18(16)20-19(15)17;1-13-5-4-6-14(11-13)15-9-10-19-17(12-15)16-7-2-3-8-18(16)20-19;1-13-6-2-3-7-15(13)14-10-11-19-17(12-14)16-8-4-5-9-18(16)20-19;1-13-9-11-14(12-10-13)15-6-4-7-17-16-5-2-3-8-18(16)20-19(15)17;1-13-6-8-14(9-7-13)15-10-11-19-17(12-15)16-4-2-3-5-18(16)20-19/h6*2-12H,1H3
• InChIKey: FQLCZAFVDDMUGR-UHFFFAOYSA-N
• XLogP: 35.71
• TPSA: 13.14 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1630.26
LogP ≤ 5	35.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)dibenzofuran;2-(2-methylphenyl)dibenzothiophene;2-(3-methylphenyl)dibenzothiophene;2-(4-methylphenyl)dibenzothiophene;4-(3-methylphenyl)dibenzothiophene;4-(4-methylphenyl)dibenzothiophene?

The IUPAC name of 4-(2-methylphenyl)dibenzofuran;2-(2-methylphenyl)dibenzothiophene;2-(3-methylphenyl)dibenzothiophene;2-(4-methylphenyl)dibenzothiophene;4-(3-methylphenyl)dibenzothiophene;4-(4-methylphenyl)dibenzothiophene (CID 158111097) is 4-(2-methylphenyl)dibenzofuran;2-(2-methylphenyl)dibenzothiophene;2-(3-methylphenyl)dibenzothiophene;2-(4-methylphenyl)dibenzothiophene;4-(3-methylphenyl)dibenzothiophene;4-(4-methylphenyl)dibenzothiophene.

What is the SMILES notation for 4-(2-methylphenyl)dibenzofuran;2-(2-methylphenyl)dibenzothiophene;2-(3-methylphenyl)dibenzothiophene;2-(4-methylphenyl)dibenzothiophene;4-(3-methylphenyl)dibenzothiophene;4-(4-methylphenyl)dibenzothiophene?

The canonical SMILES for 4-(2-methylphenyl)dibenzofuran;2-(2-methylphenyl)dibenzothiophene;2-(3-methylphenyl)dibenzothiophene;2-(4-methylphenyl)dibenzothiophene;4-(3-methylphenyl)dibenzothiophene;4-(4-methylphenyl)dibenzothiophene is Cc1ccc(-c2ccc3sc4ccccc4c3c2)cc1.Cc1ccc(-c2cccc3c2sc2ccccc23)cc1.Cc1cccc(-c2ccc3sc4ccccc4c3c2)c1.Cc1cccc(-c2cccc3c2sc2ccccc23)c1.Cc1ccccc1-c1ccc2sc3ccccc3c2c1.Cc1ccccc1-c1cccc2c1oc1ccccc12.

What is the InChIKey of 4-(2-methylphenyl)dibenzofuran;2-(2-methylphenyl)dibenzothiophene;2-(3-methylphenyl)dibenzothiophene;2-(4-methylphenyl)dibenzothiophene;4-(3-methylphenyl)dibenzothiophene;4-(4-methylphenyl)dibenzothiophene?

The InChIKey is FQLCZAFVDDMUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O.5C19H14S/c1-13-7-2-3-8-14(13)16-10-6-11-17-15-9-4-5-12-18(15)20-19(16)17;1-13-6-4-7-14(12-13)15-9-5-10-17-16-8-2-3-11-18(16)20-19(15)17;1-13-5-4-6-14(11-13)15-9-10-19-17(12-15)16-7-2-3-8-18(16)20-19;1-13-6-2-3-7-15(13)14-10-11-19-17(12-14)16-8-4-5-9-18(16)20-19;1-13-9-11-14(12-10-13)15-6-4-7-17-16-5-2-3-8-18(16)20-19(15)17;1-13-6-8-14(9-7-13)15-10-11-19-17(12-15)16-4-2-3-5-18(16)20-19/h6*2-12H,1H3.

What are the key properties of 4-(2-methylphenyl)dibenzofuran;2-(2-methylphenyl)dibenzothiophene;2-(3-methylphenyl)dibenzothiophene;2-(4-methylphenyl)dibenzothiophene;4-(3-methylphenyl)dibenzothiophene;4-(4-methylphenyl)dibenzothiophene?

4-(2-methylphenyl)dibenzofuran;2-(2-methylphenyl)dibenzothiophene;2-(3-methylphenyl)dibenzothiophene;2-(4-methylphenyl)dibenzothiophene;4-(3-methylphenyl)dibenzothiophene;4-(4-methylphenyl)dibenzothiophene has a molecular weight of 1630.26 g/mol, XLogP of 35.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-methylphenyl)dibenzofuran;2-(2-methylphenyl)dibenzothiophene;2-(3-methylphenyl)dibenzothiophene;2-(4-methylphenyl)dibenzothiophene;4-(3-methylphenyl)dibenzothiophene;4-(4-methylphenyl)dibenzothiophene is sourced from PubChem (CID 158111097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).