2-tert-butyl-7-phenyldibenzofuran;7-tert-butyl-1-phenyldibenzofuran;1-phenyl-8-propan-2-yldibenzofuran;2-phenyl-8-propan-2-yldibenzofuran;6-phenyl-1-propan-2-yldibenzofuran;6-phenyl-2-propan-2-yldibenzofuran

C128H112O6 — CID 165014569

About 2-tert-butyl-7-phenyldibenzofuran;7-tert-butyl-1-phenyldibenzofuran;1-phenyl-8-propan-2-yldibenzofuran;2-phenyl-8-propan-2-yldibenzofuran;6-phenyl-1-propan-2-yldibenzofuran;6-phenyl-2-propan-2-yldibenzofuran

2-tert-butyl-7-phenyldibenzofuran;7-tert-butyl-1-phenyldibenzofuran;1-phenyl-8-propan-2-yldibenzofuran;2-phenyl-8-propan-2-yldibenzofuran;6-phenyl-1-propan-2-yldibenzofuran;6-phenyl-2-propan-2-yldibenzofuran (PubChem CID 165014569) has the molecular formula C128H112O6 and a molecular weight of 1746.30 g/mol. Its IUPAC name is 2-tert-butyl-7-phenyldibenzofuran;7-tert-butyl-1-phenyldibenzofuran;1-phenyl-8-propan-2-yldibenzofuran;2-phenyl-8-propan-2-yldibenzofuran;6-phenyl-1-propan-2-yldibenzofuran;6-phenyl-2-propan-2-yldibenzofuran.

Molecular Properties

• Compound Name: 2-tert-butyl-7-phenyldibenzofuran;7-tert-butyl-1-phenyldibenzofuran;1-phenyl-8-propan-2-yldibenzofuran;2-phenyl-8-propan-2-yldibenzofuran;6-phenyl-1-propan-2-yldibenzofuran;6-phenyl-2-propan-2-yldibenzofuran
• PubChem CID: 165014569
• Molecular Formula: C128H112O6
• Molecular Weight: 1746.30 g/mol
• Exact Mass: 1744.85
• IUPAC Name: 2-tert-butyl-7-phenyldibenzofuran;7-tert-butyl-1-phenyldibenzofuran;1-phenyl-8-propan-2-yldibenzofuran;2-phenyl-8-propan-2-yldibenzofuran;6-phenyl-1-propan-2-yldibenzofuran;6-phenyl-2-propan-2-yldibenzofuran
• SMILES: CC(C)(C)c1ccc2c(c1)oc1cccc(-c3ccccc3)c12.CC(C)(C)c1ccc2oc3cc(-c4ccccc4)ccc3c2c1.CC(C)c1ccc2oc3c(-c4ccccc4)cccc3c2c1.CC(C)c1ccc2oc3ccc(-c4ccccc4)cc3c2c1.CC(C)c1ccc2oc3cccc(-c4ccccc4)c3c2c1.CC(C)c1cccc2oc3c(-c4ccccc4)cccc3c12
• InChI: InChI=1S/2C22H20O.4C21H18O/c1-22(2,3)16-12-13-18-20(14-16)23-19-11-7-10-17(21(18)19)15-8-5-4-6-9-15;1-22(2,3)17-10-12-20-19(14-17)18-11-9-16(13-21(18)23-20)15-7-5-4-6-8-15;1-14(2)16-10-7-13-19-20(16)18-12-6-11-17(21(18)22-19)15-8-4-3-5-9-15;1-14(2)16-11-12-19-18(13-16)21-17(9-6-10-20(21)22-19)15-7-4-3-5-8-15;1-14(2)16-11-12-20-19(13-16)18-10-6-9-17(21(18)22-20)15-7-4-3-5-8-15;1-14(2)16-8-10-20-18(12-16)19-13-17(9-11-21(19)22-20)15-6-4-3-5-7-15/h2*4-14H,1-3H3;4*3-14H,1-2H3
• InChIKey: KFKNLXXKRFLWLY-UHFFFAOYSA-N
• XLogP: 38.61
• TPSA: 78.84 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1746.30
LogP ≤ 5	38.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-phenyldibenzofuran;7-tert-butyl-1-phenyldibenzofuran;1-phenyl-8-propan-2-yldibenzofuran;2-phenyl-8-propan-2-yldibenzofuran;6-phenyl-1-propan-2-yldibenzofuran;6-phenyl-2-propan-2-yldibenzofuran?

The IUPAC name of 2-tert-butyl-7-phenyldibenzofuran;7-tert-butyl-1-phenyldibenzofuran;1-phenyl-8-propan-2-yldibenzofuran;2-phenyl-8-propan-2-yldibenzofuran;6-phenyl-1-propan-2-yldibenzofuran;6-phenyl-2-propan-2-yldibenzofuran (CID 165014569) is 2-tert-butyl-7-phenyldibenzofuran;7-tert-butyl-1-phenyldibenzofuran;1-phenyl-8-propan-2-yldibenzofuran;2-phenyl-8-propan-2-yldibenzofuran;6-phenyl-1-propan-2-yldibenzofuran;6-phenyl-2-propan-2-yldibenzofuran.

What is the SMILES notation for 2-tert-butyl-7-phenyldibenzofuran;7-tert-butyl-1-phenyldibenzofuran;1-phenyl-8-propan-2-yldibenzofuran;2-phenyl-8-propan-2-yldibenzofuran;6-phenyl-1-propan-2-yldibenzofuran;6-phenyl-2-propan-2-yldibenzofuran?

The canonical SMILES for 2-tert-butyl-7-phenyldibenzofuran;7-tert-butyl-1-phenyldibenzofuran;1-phenyl-8-propan-2-yldibenzofuran;2-phenyl-8-propan-2-yldibenzofuran;6-phenyl-1-propan-2-yldibenzofuran;6-phenyl-2-propan-2-yldibenzofuran is CC(C)(C)c1ccc2c(c1)oc1cccc(-c3ccccc3)c12.CC(C)(C)c1ccc2oc3cc(-c4ccccc4)ccc3c2c1.CC(C)c1ccc2oc3c(-c4ccccc4)cccc3c2c1.CC(C)c1ccc2oc3ccc(-c4ccccc4)cc3c2c1.CC(C)c1ccc2oc3cccc(-c4ccccc4)c3c2c1.CC(C)c1cccc2oc3c(-c4ccccc4)cccc3c12.

What is the InChIKey of 2-tert-butyl-7-phenyldibenzofuran;7-tert-butyl-1-phenyldibenzofuran;1-phenyl-8-propan-2-yldibenzofuran;2-phenyl-8-propan-2-yldibenzofuran;6-phenyl-1-propan-2-yldibenzofuran;6-phenyl-2-propan-2-yldibenzofuran?

The InChIKey is KFKNLXXKRFLWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H20O.4C21H18O/c1-22(2,3)16-12-13-18-20(14-16)23-19-11-7-10-17(21(18)19)15-8-5-4-6-9-15;1-22(2,3)17-10-12-20-19(14-17)18-11-9-16(13-21(18)23-20)15-7-5-4-6-8-15;1-14(2)16-10-7-13-19-20(16)18-12-6-11-17(21(18)22-19)15-8-4-3-5-9-15;1-14(2)16-11-12-19-18(13-16)21-17(9-6-10-20(21)22-19)15-7-4-3-5-8-15;1-14(2)16-11-12-20-19(13-16)18-10-6-9-17(21(18)22-20)15-7-4-3-5-8-15;1-14(2)16-8-10-20-18(12-16)19-13-17(9-11-21(19)22-20)15-6-4-3-5-7-15/h2*4-14H,1-3H3;4*3-14H,1-2H3.

What are the key properties of 2-tert-butyl-7-phenyldibenzofuran;7-tert-butyl-1-phenyldibenzofuran;1-phenyl-8-propan-2-yldibenzofuran;2-phenyl-8-propan-2-yldibenzofuran;6-phenyl-1-propan-2-yldibenzofuran;6-phenyl-2-propan-2-yldibenzofuran?

2-tert-butyl-7-phenyldibenzofuran;7-tert-butyl-1-phenyldibenzofuran;1-phenyl-8-propan-2-yldibenzofuran;2-phenyl-8-propan-2-yldibenzofuran;6-phenyl-1-propan-2-yldibenzofuran;6-phenyl-2-propan-2-yldibenzofuran has a molecular weight of 1746.30 g/mol, XLogP of 38.61, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-7-phenyldibenzofuran;7-tert-butyl-1-phenyldibenzofuran;1-phenyl-8-propan-2-yldibenzofuran;2-phenyl-8-propan-2-yldibenzofuran;6-phenyl-1-propan-2-yldibenzofuran;6-phenyl-2-propan-2-yldibenzofuran is sourced from PubChem (CID 165014569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).