N-(9,9'-spirobi[fluorene]-4-yl)-N-tetraphenylen-1-ylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-amine

C80H47NO — CID 134524868

About N-(9,9'-spirobi[fluorene]-4-yl)-N-tetraphenylen-1-ylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-amine

N-(9,9'-spirobi[fluorene]-4-yl)-N-tetraphenylen-1-ylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-amine (PubChem CID 134524868) has the molecular formula C80H47NO and a molecular weight of 1038.26 g/mol. Its IUPAC name is N-(9,9'-spirobi[fluorene]-4-yl)-N-tetraphenylen-1-ylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-amine.

Molecular Properties

• Compound Name: N-(9,9'-spirobi[fluorene]-4-yl)-N-tetraphenylen-1-ylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-amine
• PubChem CID: 134524868
• Molecular Formula: C80H47NO
• Molecular Weight: 1038.26 g/mol
• Exact Mass: 1037.37
• IUPAC Name: N-(9,9'-spirobi[fluorene]-4-yl)-N-tetraphenylen-1-ylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-amine
• SMILES: c1ccc2c(c1)-c1ccccc1-c1cccc(N(c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c3cccc4c3-c3ccccc3C43c4ccccc4-c4c3ccc3c4oc4ccccc43)c1-c1ccccc1-2
• InChI: InChI=1S/C80H47NO/c1-2-23-49-48(22-1)50-24-3-4-25-52(50)57-34-19-42-70(74(57)56-30-6-5-26-51(49)56)81(71-43-20-40-67-75(71)59-31-9-15-37-64(59)79(67)62-35-13-7-27-53(62)54-28-8-14-36-63(54)79)72-44-21-41-68-76(72)60-32-10-16-38-65(60)80(68)66-39-17-11-33-61(66)77-69(80)47-46-58-55-29-12-18-45-73(55)82-78(58)77/h1-47H/b50-48-,51-49-,57-52-,74-56+
• InChIKey: PWHKFPNRSDCQDO-VFOVRMMWSA-N
• XLogP: 20.72
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1038.26
LogP ≤ 5	20.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(9,9'-spirobi[fluorene]-4-yl)-N-tetraphenylen-1-ylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-amine?

The IUPAC name of N-(9,9'-spirobi[fluorene]-4-yl)-N-tetraphenylen-1-ylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-amine (CID 134524868) is N-(9,9'-spirobi[fluorene]-4-yl)-N-tetraphenylen-1-ylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-amine.

What is the SMILES notation for N-(9,9'-spirobi[fluorene]-4-yl)-N-tetraphenylen-1-ylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-amine?

The canonical SMILES for N-(9,9'-spirobi[fluorene]-4-yl)-N-tetraphenylen-1-ylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-amine is c1ccc2c(c1)-c1ccccc1-c1cccc(N(c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c3cccc4c3-c3ccccc3C43c4ccccc4-c4c3ccc3c4oc4ccccc43)c1-c1ccccc1-2.

What is the InChIKey of N-(9,9'-spirobi[fluorene]-4-yl)-N-tetraphenylen-1-ylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-amine?

The InChIKey is PWHKFPNRSDCQDO-VFOVRMMWSA-N. The full InChI is InChI=1S/C80H47NO/c1-2-23-49-48(22-1)50-24-3-4-25-52(50)57-34-19-42-70(74(57)56-30-6-5-26-51(49)56)81(71-43-20-40-67-75(71)59-31-9-15-37-64(59)79(67)62-35-13-7-27-53(62)54-28-8-14-36-63(54)79)72-44-21-41-68-76(72)60-32-10-16-38-65(60)80(68)66-39-17-11-33-61(66)77-69(80)47-46-58-55-29-12-18-45-73(55)82-78(58)77/h1-47H/b50-48-,51-49-,57-52-,74-56+.

What are the key properties of N-(9,9'-spirobi[fluorene]-4-yl)-N-tetraphenylen-1-ylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-amine?

N-(9,9'-spirobi[fluorene]-4-yl)-N-tetraphenylen-1-ylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-amine has a molecular weight of 1038.26 g/mol, XLogP of 20.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9'-spirobi[fluorene]-4-yl)-N-tetraphenylen-1-ylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-amine is sourced from PubChem (CID 134524868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).