N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)-7-spiro[benzo[c]fluorene-7,9'-fluorene]-1'-ylfluoren-2-amine

C84H53NO — CID 130380116

About N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)-7-spiro[benzo[c]fluorene-7,9'-fluorene]-1'-ylfluoren-2-amine

N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)-7-spiro[benzo[c]fluorene-7,9'-fluorene]-1'-ylfluoren-2-amine (PubChem CID 130380116) has the molecular formula C84H53NO and a molecular weight of 1092.35 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)-7-spiro[benzo[c]fluorene-7,9'-fluorene]-1'-ylfluoren-2-amine.

Molecular Properties

• Compound Name: N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)-7-spiro[benzo[c]fluorene-7,9'-fluorene]-1'-ylfluoren-2-amine
• PubChem CID: 130380116
• Molecular Formula: C84H53NO
• Molecular Weight: 1092.35 g/mol
• Exact Mass: 1091.41
• IUPAC Name: N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)-7-spiro[benzo[c]fluorene-7,9'-fluorene]-1'-ylfluoren-2-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5cccc6c5C5(c7ccccc7-6)c6ccccc6-c6c5ccc5ccccc65)ccc3-4)cc2)cc1
• InChI: InChI=1S/C84H53NO/c1-4-20-54(21-5-1)55-38-44-61(45-39-55)85(62-46-40-57(41-47-62)66-32-19-34-72-70-29-14-17-37-79(70)86-82(66)72)63-48-50-69-68-49-42-58(52-77(68)83(78(69)53-63,59-23-6-2-7-24-59)60-25-8-3-9-26-60)65-31-18-33-71-67-28-12-15-35-74(67)84(81(65)71)75-36-16-13-30-73(75)80-64-27-11-10-22-56(64)43-51-76(80)84/h1-53H
• InChIKey: YNWKCHNYCYOIQU-UHFFFAOYSA-N
• XLogP: 21.92
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1092.35
LogP ≤ 5	21.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)-7-spiro[benzo[c]fluorene-7,9'-fluorene]-1'-ylfluoren-2-amine?

The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)-7-spiro[benzo[c]fluorene-7,9'-fluorene]-1'-ylfluoren-2-amine (CID 130380116) is N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)-7-spiro[benzo[c]fluorene-7,9'-fluorene]-1'-ylfluoren-2-amine.

What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)-7-spiro[benzo[c]fluorene-7,9'-fluorene]-1'-ylfluoren-2-amine?

The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)-7-spiro[benzo[c]fluorene-7,9'-fluorene]-1'-ylfluoren-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5cccc6c5C5(c7ccccc7-6)c6ccccc6-c6c5ccc5ccccc65)ccc3-4)cc2)cc1.

What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)-7-spiro[benzo[c]fluorene-7,9'-fluorene]-1'-ylfluoren-2-amine?

The InChIKey is YNWKCHNYCYOIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H53NO/c1-4-20-54(21-5-1)55-38-44-61(45-39-55)85(62-46-40-57(41-47-62)66-32-19-34-72-70-29-14-17-37-79(70)86-82(66)72)63-48-50-69-68-49-42-58(52-77(68)83(78(69)53-63,59-23-6-2-7-24-59)60-25-8-3-9-26-60)65-31-18-33-71-67-28-12-15-35-74(67)84(81(65)71)75-36-16-13-30-73(75)80-64-27-11-10-22-56(64)43-51-76(80)84/h1-53H.

What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)-7-spiro[benzo[c]fluorene-7,9'-fluorene]-1'-ylfluoren-2-amine?

N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)-7-spiro[benzo[c]fluorene-7,9'-fluorene]-1'-ylfluoren-2-amine has a molecular weight of 1092.35 g/mol, XLogP of 21.92, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)-7-spiro[benzo[c]fluorene-7,9'-fluorene]-1'-ylfluoren-2-amine is sourced from PubChem (CID 130380116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).