N-(9,9'-spirobi[fluorene]-4-yl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine

C81H49NO2 — CID 138477749

About N-(9,9'-spirobi[fluorene]-4-yl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine

N-(9,9'-spirobi[fluorene]-4-yl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine (PubChem CID 138477749) has the molecular formula C81H49NO2 and a molecular weight of 1068.29 g/mol. Its IUPAC name is N-(9,9'-spirobi[fluorene]-4-yl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine.

Molecular Properties

• Compound Name: N-(9,9'-spirobi[fluorene]-4-yl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
• PubChem CID: 138477749
• Molecular Formula: C81H49NO2
• Molecular Weight: 1068.29 g/mol
• Exact Mass: 1067.38
• IUPAC Name: N-(9,9'-spirobi[fluorene]-4-yl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
• SMILES: c1cc(-c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2ccccc2-3)cc(N(c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2ccccc2-3)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)c1
• InChI: InChI=1S/C81H49NO2/c1-6-28-61-54(23-1)55-24-2-7-29-62(55)79(61)65-32-10-5-27-60(65)78-70(79)37-20-38-73(78)82(53-44-46-59-57-26-4-9-31-64(57)81(72(59)49-53)68-35-13-17-41-76(68)84-77-42-18-14-36-69(77)81)52-22-19-21-50(47-52)51-43-45-58-56-25-3-8-30-63(56)80(71(58)48-51)66-33-11-15-39-74(66)83-75-40-16-12-34-67(75)80/h1-49H
• InChIKey: KVOPCWVIVODTND-UHFFFAOYSA-N
• XLogP: 20.10
• TPSA: 21.70 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1068.29
LogP ≤ 5	20.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(9,9'-spirobi[fluorene]-4-yl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine?

The IUPAC name of N-(9,9'-spirobi[fluorene]-4-yl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine (CID 138477749) is N-(9,9'-spirobi[fluorene]-4-yl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine.

What is the SMILES notation for N-(9,9'-spirobi[fluorene]-4-yl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine?

The canonical SMILES for N-(9,9'-spirobi[fluorene]-4-yl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine is c1cc(-c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2ccccc2-3)cc(N(c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2ccccc2-3)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)c1.

What is the InChIKey of N-(9,9'-spirobi[fluorene]-4-yl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine?

The InChIKey is KVOPCWVIVODTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H49NO2/c1-6-28-61-54(23-1)55-24-2-7-29-62(55)79(61)65-32-10-5-27-60(65)78-70(79)37-20-38-73(78)82(53-44-46-59-57-26-4-9-31-64(57)81(72(59)49-53)68-35-13-17-41-76(68)84-77-42-18-14-36-69(77)81)52-22-19-21-50(47-52)51-43-45-58-56-25-3-8-30-63(56)80(71(58)48-51)66-33-11-15-39-74(66)83-75-40-16-12-34-67(75)80/h1-49H.

What are the key properties of N-(9,9'-spirobi[fluorene]-4-yl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine?

N-(9,9'-spirobi[fluorene]-4-yl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine has a molecular weight of 1068.29 g/mol, XLogP of 20.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9'-spirobi[fluorene]-4-yl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine is sourced from PubChem (CID 138477749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).