N-dibenzofuran-3-yl-N-(4-spiro[fluorene-9,11'-tetracyclo[4.3.1.11,4.02,8]undecane]-2-ylphenyl)dibenzofuran-3-amine

C53H39NO2 — CID 155402238

About N-dibenzofuran-3-yl-N-(4-spiro[fluorene-9,11'-tetracyclo[4.3.1.11,4.02,8]undecane]-2-ylphenyl)dibenzofuran-3-amine

N-dibenzofuran-3-yl-N-(4-spiro[fluorene-9,11'-tetracyclo[4.3.1.11,4.02,8]undecane]-2-ylphenyl)dibenzofuran-3-amine (PubChem CID 155402238) has the molecular formula C53H39NO2 and a molecular weight of 721.90 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-(4-spiro[fluorene-9,11'-tetracyclo[4.3.1.11,4.02,8]undecane]-2-ylphenyl)dibenzofuran-3-amine.

Molecular Properties

• Compound Name: N-dibenzofuran-3-yl-N-(4-spiro[fluorene-9,11'-tetracyclo[4.3.1.11,4.02,8]undecane]-2-ylphenyl)dibenzofuran-3-amine
• PubChem CID: 155402238
• Molecular Formula: C53H39NO2
• Molecular Weight: 721.90 g/mol
• Exact Mass: 721.30
• IUPAC Name: N-dibenzofuran-3-yl-N-(4-spiro[fluorene-9,11'-tetracyclo[4.3.1.11,4.02,8]undecane]-2-ylphenyl)dibenzofuran-3-amine
• SMILES: c1ccc2c(c1)-c1ccc(-c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5c(c4)oc4ccccc45)cc3)cc1C21C2CC3CC4CC1(C3)C4C2
• InChI: InChI=1S/C53H39NO2/c1-4-10-45-39(7-1)40-20-15-33(25-47(40)53(45)35-24-31-23-34-30-52(53,29-31)46(34)26-35)32-13-16-36(17-14-32)54(37-18-21-43-41-8-2-5-11-48(41)55-50(43)27-37)38-19-22-44-42-9-3-6-12-49(42)56-51(44)28-38/h1-22,25,27-28,31,34-35,46H,23-24,26,29-30H2
• InChIKey: XYBFRYIVVCSBDG-UHFFFAOYSA-N
• XLogP: 14.34
• TPSA: 29.52 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	721.90
LogP ≤ 5	14.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N-(4-spiro[fluorene-9,11'-tetracyclo[4.3.1.11,4.02,8]undecane]-2-ylphenyl)dibenzofuran-3-amine?

The IUPAC name of N-dibenzofuran-3-yl-N-(4-spiro[fluorene-9,11'-tetracyclo[4.3.1.11,4.02,8]undecane]-2-ylphenyl)dibenzofuran-3-amine (CID 155402238) is N-dibenzofuran-3-yl-N-(4-spiro[fluorene-9,11'-tetracyclo[4.3.1.11,4.02,8]undecane]-2-ylphenyl)dibenzofuran-3-amine.

What is the SMILES notation for N-dibenzofuran-3-yl-N-(4-spiro[fluorene-9,11'-tetracyclo[4.3.1.11,4.02,8]undecane]-2-ylphenyl)dibenzofuran-3-amine?

The canonical SMILES for N-dibenzofuran-3-yl-N-(4-spiro[fluorene-9,11'-tetracyclo[4.3.1.11,4.02,8]undecane]-2-ylphenyl)dibenzofuran-3-amine is c1ccc2c(c1)-c1ccc(-c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5c(c4)oc4ccccc45)cc3)cc1C21C2CC3CC4CC1(C3)C4C2.

What is the InChIKey of N-dibenzofuran-3-yl-N-(4-spiro[fluorene-9,11'-tetracyclo[4.3.1.11,4.02,8]undecane]-2-ylphenyl)dibenzofuran-3-amine?

The InChIKey is XYBFRYIVVCSBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H39NO2/c1-4-10-45-39(7-1)40-20-15-33(25-47(40)53(45)35-24-31-23-34-30-52(53,29-31)46(34)26-35)32-13-16-36(17-14-32)54(37-18-21-43-41-8-2-5-11-48(41)55-50(43)27-37)38-19-22-44-42-9-3-6-12-49(42)56-51(44)28-38/h1-22,25,27-28,31,34-35,46H,23-24,26,29-30H2.

What are the key properties of N-dibenzofuran-3-yl-N-(4-spiro[fluorene-9,11'-tetracyclo[4.3.1.11,4.02,8]undecane]-2-ylphenyl)dibenzofuran-3-amine?

N-dibenzofuran-3-yl-N-(4-spiro[fluorene-9,11'-tetracyclo[4.3.1.11,4.02,8]undecane]-2-ylphenyl)dibenzofuran-3-amine has a molecular weight of 721.90 g/mol, XLogP of 14.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-dibenzofuran-3-yl-N-(4-spiro[fluorene-9,11'-tetracyclo[4.3.1.11,4.02,8]undecane]-2-ylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 155402238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).