6,8-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine

C50H49NO — CID 176751170

About 6,8-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine

6,8-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine (PubChem CID 176751170) has the molecular formula C50H49NO and a molecular weight of 679.95 g/mol. Its IUPAC name is 6,8-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine.

Molecular Properties

• Compound Name: 6,8-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
• PubChem CID: 176751170
• Molecular Formula: C50H49NO
• Molecular Weight: 679.95 g/mol
• Exact Mass: 679.38
• IUPAC Name: 6,8-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
• SMILES: CC(C)(C)c1cc(C(C)(C)C)c2oc3ccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cccc5c4C(C)(C)c4ccccc4-5)cc3c2c1
• InChI: InChI=1S/C50H49NO/c1-47(2,3)30-26-38-37-28-31(23-25-44(37)52-46(38)42(27-30)48(4,5)6)51(32-22-24-35-33-16-11-13-19-39(33)49(7,8)41(35)29-32)43-21-15-18-36-34-17-12-14-20-40(34)50(9,10)45(36)43/h11-29H,1-10H3
• InChIKey: KNPPIXKMDUHDPU-UHFFFAOYSA-N
• XLogP: 14.26
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	679.95
LogP ≤ 5	14.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 6,8-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine?

The IUPAC name of 6,8-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine (CID 176751170) is 6,8-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine.

What is the SMILES notation for 6,8-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine?

The canonical SMILES for 6,8-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine is CC(C)(C)c1cc(C(C)(C)C)c2oc3ccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cccc5c4C(C)(C)c4ccccc4-5)cc3c2c1.

What is the InChIKey of 6,8-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine?

The InChIKey is KNPPIXKMDUHDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H49NO/c1-47(2,3)30-26-38-37-28-31(23-25-44(37)52-46(38)42(27-30)48(4,5)6)51(32-22-24-35-33-16-11-13-19-39(33)49(7,8)41(35)29-32)43-21-15-18-36-34-17-12-14-20-40(34)50(9,10)45(36)43/h11-29H,1-10H3.

What are the key properties of 6,8-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine?

6,8-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine has a molecular weight of 679.95 g/mol, XLogP of 14.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6,8-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine is sourced from PubChem (CID 176751170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).