7-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine

C70H47NO2 — CID 121424802

About 7-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine

7-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine (PubChem CID 121424802) has the molecular formula C70H47NO2 and a molecular weight of 934.15 g/mol. Its IUPAC name is 7-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

• Compound Name: 7-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine
• PubChem CID: 121424802
• Molecular Formula: C70H47NO2
• Molecular Weight: 934.15 g/mol
• Exact Mass: 933.36
• IUPAC Name: 7-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine
• SMILES: CC1(C)c2cc(-c3ccc4oc5ccccc5c4c3)ccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)cc21
• InChI: InChI=1S/C70H47NO2/c1-69(2)63-41-46(45-31-39-67-60(40-45)57-22-11-13-26-65(57)72-67)30-36-54(63)55-37-34-51(43-64(55)69)71(49-32-28-44(29-33-49)52-23-15-24-58-56-21-10-14-27-66(56)73-68(52)58)50-35-38-62-59(42-50)53-20-9-12-25-61(53)70(62,47-16-5-3-6-17-47)48-18-7-4-8-19-48/h3-43H,1-2H3
• InChIKey: SIJHJTAEPSAPIG-UHFFFAOYSA-N
• XLogP: 18.96
• TPSA: 29.52 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	934.15
LogP ≤ 5	18.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 7-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine?

The IUPAC name of 7-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine (CID 121424802) is 7-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine.

What is the SMILES notation for 7-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine?

The canonical SMILES for 7-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine is CC1(C)c2cc(-c3ccc4oc5ccccc5c4c3)ccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)cc21.

What is the InChIKey of 7-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine?

The InChIKey is SIJHJTAEPSAPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H47NO2/c1-69(2)63-41-46(45-31-39-67-60(40-45)57-22-11-13-26-65(57)72-67)30-36-54(63)55-37-34-51(43-64(55)69)71(49-32-28-44(29-33-49)52-23-15-24-58-56-21-10-14-27-66(56)73-68(52)58)50-35-38-62-59(42-50)53-20-9-12-25-61(53)70(62,47-16-5-3-6-17-47)48-18-7-4-8-19-48/h3-43H,1-2H3.

What are the key properties of 7-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine?

7-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine has a molecular weight of 934.15 g/mol, XLogP of 18.96, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 121424802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).