4-(2-tert-butyl-3-dibenzofuran-4-ylphenyl)dibenzofuran;1-[2-tert-butyl-3-(9H-fluoren-4-yl)phenyl]dibenzofuran

C69H54O3 — CID 161275768

About 4-(2-tert-butyl-3-dibenzofuran-4-ylphenyl)dibenzofuran;1-[2-tert-butyl-3-(9H-fluoren-4-yl)phenyl]dibenzofuran

4-(2-tert-butyl-3-dibenzofuran-4-ylphenyl)dibenzofuran;1-[2-tert-butyl-3-(9H-fluoren-4-yl)phenyl]dibenzofuran (PubChem CID 161275768) has the molecular formula C69H54O3 and a molecular weight of 931.19 g/mol. Its IUPAC name is 4-(2-tert-butyl-3-dibenzofuran-4-ylphenyl)dibenzofuran;1-[2-tert-butyl-3-(9H-fluoren-4-yl)phenyl]dibenzofuran.

Molecular Properties

• Compound Name: 4-(2-tert-butyl-3-dibenzofuran-4-ylphenyl)dibenzofuran;1-[2-tert-butyl-3-(9H-fluoren-4-yl)phenyl]dibenzofuran
• PubChem CID: 161275768
• Molecular Formula: C69H54O3
• Molecular Weight: 931.19 g/mol
• Exact Mass: 930.41
• IUPAC Name: 4-(2-tert-butyl-3-dibenzofuran-4-ylphenyl)dibenzofuran;1-[2-tert-butyl-3-(9H-fluoren-4-yl)phenyl]dibenzofuran
• SMILES: CC(C)(C)c1c(-c2cccc3c2-c2ccccc2C3)cccc1-c1cccc2oc3ccccc3c12.CC(C)(C)c1c(-c2cccc3c2oc2ccccc23)cccc1-c1cccc2c1oc1ccccc12
• InChI: InChI=1S/C35H28O.C34H26O2/c1-35(2,3)34-27(25-15-8-12-23-21-22-11-4-5-13-24(22)32(23)25)17-9-18-28(34)26-16-10-20-31-33(26)29-14-6-7-19-30(29)36-31;1-34(2,3)31-23(27-17-9-15-25-21-11-4-6-19-29(21)35-32(25)27)13-8-14-24(31)28-18-10-16-26-22-12-5-7-20-30(22)36-33(26)28/h4-20H,21H2,1-3H3;4-20H,1-3H3
• InChIKey: VEKPFTTWXXZFGZ-UHFFFAOYSA-N
• XLogP: 19.91
• TPSA: 39.42 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	931.19
LogP ≤ 5	19.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butyl-3-dibenzofuran-4-ylphenyl)dibenzofuran;1-[2-tert-butyl-3-(9H-fluoren-4-yl)phenyl]dibenzofuran?

The IUPAC name of 4-(2-tert-butyl-3-dibenzofuran-4-ylphenyl)dibenzofuran;1-[2-tert-butyl-3-(9H-fluoren-4-yl)phenyl]dibenzofuran (CID 161275768) is 4-(2-tert-butyl-3-dibenzofuran-4-ylphenyl)dibenzofuran;1-[2-tert-butyl-3-(9H-fluoren-4-yl)phenyl]dibenzofuran.

What is the SMILES notation for 4-(2-tert-butyl-3-dibenzofuran-4-ylphenyl)dibenzofuran;1-[2-tert-butyl-3-(9H-fluoren-4-yl)phenyl]dibenzofuran?

The canonical SMILES for 4-(2-tert-butyl-3-dibenzofuran-4-ylphenyl)dibenzofuran;1-[2-tert-butyl-3-(9H-fluoren-4-yl)phenyl]dibenzofuran is CC(C)(C)c1c(-c2cccc3c2-c2ccccc2C3)cccc1-c1cccc2oc3ccccc3c12.CC(C)(C)c1c(-c2cccc3c2oc2ccccc23)cccc1-c1cccc2c1oc1ccccc12.

What is the InChIKey of 4-(2-tert-butyl-3-dibenzofuran-4-ylphenyl)dibenzofuran;1-[2-tert-butyl-3-(9H-fluoren-4-yl)phenyl]dibenzofuran?

The InChIKey is VEKPFTTWXXZFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28O.C34H26O2/c1-35(2,3)34-27(25-15-8-12-23-21-22-11-4-5-13-24(22)32(23)25)17-9-18-28(34)26-16-10-20-31-33(26)29-14-6-7-19-30(29)36-31;1-34(2,3)31-23(27-17-9-15-25-21-11-4-6-19-29(21)35-32(25)27)13-8-14-24(31)28-18-10-16-26-22-12-5-7-20-30(22)36-33(26)28/h4-20H,21H2,1-3H3;4-20H,1-3H3.

What are the key properties of 4-(2-tert-butyl-3-dibenzofuran-4-ylphenyl)dibenzofuran;1-[2-tert-butyl-3-(9H-fluoren-4-yl)phenyl]dibenzofuran?

4-(2-tert-butyl-3-dibenzofuran-4-ylphenyl)dibenzofuran;1-[2-tert-butyl-3-(9H-fluoren-4-yl)phenyl]dibenzofuran has a molecular weight of 931.19 g/mol, XLogP of 19.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-tert-butyl-3-dibenzofuran-4-ylphenyl)dibenzofuran;1-[2-tert-butyl-3-(9H-fluoren-4-yl)phenyl]dibenzofuran is sourced from PubChem (CID 161275768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).