9-(1,3-benzoxazol-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine

C46H32N2O2 — CID 177081651

About 9-(1,3-benzoxazol-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine

9-(1,3-benzoxazol-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine (PubChem CID 177081651) has the molecular formula C46H32N2O2 and a molecular weight of 644.77 g/mol. Its IUPAC name is 9-(1,3-benzoxazol-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

• Compound Name: 9-(1,3-benzoxazol-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine
• PubChem CID: 177081651
• Molecular Formula: C46H32N2O2
• Molecular Weight: 644.77 g/mol
• Exact Mass: 644.25
• IUPAC Name: 9-(1,3-benzoxazol-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc4c3oc3cccc(-c5nc6ccccc6o5)c34)cc21
• InChI: InChI=1S/C46H32N2O2/c1-46(2)37-20-7-6-17-33(37)34-26-25-32(28-38(34)46)48(31-16-10-15-30(27-31)29-13-4-3-5-14-29)40-22-11-18-35-43-36(19-12-24-42(43)49-44(35)40)45-47-39-21-8-9-23-41(39)50-45/h3-28H,1-2H3
• InChIKey: AUSWQPBNKSHAMW-UHFFFAOYSA-N
• XLogP: 12.84
• TPSA: 42.41 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	644.77
LogP ≤ 5	12.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-(1,3-benzoxazol-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine?

The IUPAC name of 9-(1,3-benzoxazol-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine (CID 177081651) is 9-(1,3-benzoxazol-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine.

What is the SMILES notation for 9-(1,3-benzoxazol-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine?

The canonical SMILES for 9-(1,3-benzoxazol-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine is CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc4c3oc3cccc(-c5nc6ccccc6o5)c34)cc21.

What is the InChIKey of 9-(1,3-benzoxazol-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine?

The InChIKey is AUSWQPBNKSHAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2O2/c1-46(2)37-20-7-6-17-33(37)34-26-25-32(28-38(34)46)48(31-16-10-15-30(27-31)29-13-4-3-5-14-29)40-22-11-18-35-43-36(19-12-24-42(43)49-44(35)40)45-47-39-21-8-9-23-41(39)50-45/h3-28H,1-2H3.

What are the key properties of 9-(1,3-benzoxazol-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine?

9-(1,3-benzoxazol-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine has a molecular weight of 644.77 g/mol, XLogP of 12.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(1,3-benzoxazol-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 177081651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).