5-N-(4-dibenzofuran-2-ylphenyl)-1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-tris(4-phenylphenyl)benzene-1,3,5-triamine

C80H55N3O — CID 118604922

About 5-N-(4-dibenzofuran-2-ylphenyl)-1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-tris(4-phenylphenyl)benzene-1,3,5-triamine

5-N-(4-dibenzofuran-2-ylphenyl)-1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-tris(4-phenylphenyl)benzene-1,3,5-triamine (PubChem CID 118604922) has the molecular formula C80H55N3O and a molecular weight of 1074.34 g/mol. Its IUPAC name is 5-N-(4-dibenzofuran-2-ylphenyl)-1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-tris(4-phenylphenyl)benzene-1,3,5-triamine.

Molecular Properties

• Compound Name: 5-N-(4-dibenzofuran-2-ylphenyl)-1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-tris(4-phenylphenyl)benzene-1,3,5-triamine
• PubChem CID: 118604922
• Molecular Formula: C80H55N3O
• Molecular Weight: 1074.34 g/mol
• Exact Mass: 1073.43
• IUPAC Name: 5-N-(4-dibenzofuran-2-ylphenyl)-1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-tris(4-phenylphenyl)benzene-1,3,5-triamine
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3cc(N(c4ccc(-c5ccccc5)cc4)c4cccc5ccccc45)cc(N(c4ccc(-c5ccccc5)cc4)c4cccc5ccccc45)c3)cc2)cc1
• InChI: InChI=1S/C80H55N3O/c1-4-18-56(19-5-1)59-34-43-66(44-35-59)81(67-45-40-62(41-46-67)65-42-51-80-76(52-65)75-30-14-15-33-79(75)84-80)70-53-71(82(77-31-16-26-63-24-10-12-28-73(63)77)68-47-36-60(37-48-68)57-20-6-2-7-21-57)55-72(54-70)83(78-32-17-27-64-25-11-13-29-74(64)78)69-49-38-61(39-50-69)58-22-8-3-9-23-58/h1-55H
• InChIKey: HCLKLECNYDVSAD-UHFFFAOYSA-N
• XLogP: 22.97
• TPSA: 22.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1074.34
LogP ≤ 5	22.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-dibenzofuran-2-ylphenyl)-1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-tris(4-phenylphenyl)benzene-1,3,5-triamine?

The IUPAC name of 5-N-(4-dibenzofuran-2-ylphenyl)-1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-tris(4-phenylphenyl)benzene-1,3,5-triamine (CID 118604922) is 5-N-(4-dibenzofuran-2-ylphenyl)-1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-tris(4-phenylphenyl)benzene-1,3,5-triamine.

What is the SMILES notation for 5-N-(4-dibenzofuran-2-ylphenyl)-1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-tris(4-phenylphenyl)benzene-1,3,5-triamine?

The canonical SMILES for 5-N-(4-dibenzofuran-2-ylphenyl)-1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-tris(4-phenylphenyl)benzene-1,3,5-triamine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3cc(N(c4ccc(-c5ccccc5)cc4)c4cccc5ccccc45)cc(N(c4ccc(-c5ccccc5)cc4)c4cccc5ccccc45)c3)cc2)cc1.

What is the InChIKey of 5-N-(4-dibenzofuran-2-ylphenyl)-1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-tris(4-phenylphenyl)benzene-1,3,5-triamine?

The InChIKey is HCLKLECNYDVSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H55N3O/c1-4-18-56(19-5-1)59-34-43-66(44-35-59)81(67-45-40-62(41-46-67)65-42-51-80-76(52-65)75-30-14-15-33-79(75)84-80)70-53-71(82(77-31-16-26-63-24-10-12-28-73(63)77)68-47-36-60(37-48-68)57-20-6-2-7-21-57)55-72(54-70)83(78-32-17-27-64-25-11-13-29-74(64)78)69-49-38-61(39-50-69)58-22-8-3-9-23-58/h1-55H.

What are the key properties of 5-N-(4-dibenzofuran-2-ylphenyl)-1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-tris(4-phenylphenyl)benzene-1,3,5-triamine?

5-N-(4-dibenzofuran-2-ylphenyl)-1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-tris(4-phenylphenyl)benzene-1,3,5-triamine has a molecular weight of 1074.34 g/mol, XLogP of 22.97, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N-(4-dibenzofuran-2-ylphenyl)-1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-tris(4-phenylphenyl)benzene-1,3,5-triamine is sourced from PubChem (CID 118604922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).