2,3-ditert-butyl-N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine

C63H53NO — CID 177067740

About 2,3-ditert-butyl-N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine

2,3-ditert-butyl-N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine (PubChem CID 177067740) has the molecular formula C63H53NO and a molecular weight of 840.12 g/mol. Its IUPAC name is 2,3-ditert-butyl-N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine.

Molecular Properties

• Compound Name: 2,3-ditert-butyl-N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
• PubChem CID: 177067740
• Molecular Formula: C63H53NO
• Molecular Weight: 840.12 g/mol
• Exact Mass: 839.41
• IUPAC Name: 2,3-ditert-butyl-N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
• SMILES: CC(C)(C)c1cc2c(c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)c1C(C)(C)C)-c1ccccc1C2(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C63H53NO/c1-61(2,3)55-41-54-57(52-28-16-18-31-53(52)63(54,45-23-12-8-13-24-45)46-25-14-9-15-26-46)59(58(55)62(4,5)6)64(47-37-33-43(34-38-47)42-21-10-7-11-22-42)48-39-35-44(36-40-48)49-29-20-30-51-50-27-17-19-32-56(50)65-60(49)51/h7-41H,1-6H3
• InChIKey: JBHMMZGBSQHGLL-UHFFFAOYSA-N
• XLogP: 17.35
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	840.12
LogP ≤ 5	17.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2,3-ditert-butyl-N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine?

The IUPAC name of 2,3-ditert-butyl-N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine (CID 177067740) is 2,3-ditert-butyl-N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine.

What is the SMILES notation for 2,3-ditert-butyl-N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine?

The canonical SMILES for 2,3-ditert-butyl-N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine is CC(C)(C)c1cc2c(c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)c1C(C)(C)C)-c1ccccc1C2(c1ccccc1)c1ccccc1.

What is the InChIKey of 2,3-ditert-butyl-N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine?

The InChIKey is JBHMMZGBSQHGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H53NO/c1-61(2,3)55-41-54-57(52-28-16-18-31-53(52)63(54,45-23-12-8-13-24-45)46-25-14-9-15-26-46)59(58(55)62(4,5)6)64(47-37-33-43(34-38-47)42-21-10-7-11-22-42)48-39-35-44(36-40-48)49-29-20-30-51-50-27-17-19-32-56(50)65-60(49)51/h7-41H,1-6H3.

What are the key properties of 2,3-ditert-butyl-N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine?

2,3-ditert-butyl-N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine has a molecular weight of 840.12 g/mol, XLogP of 17.35, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-ditert-butyl-N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine is sourced from PubChem (CID 177067740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).