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

C81H49NO2 — CID 138477696

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

N-(9,9'-spirobi[fluorene]-4-yl)-N-(2-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine (PubChem CID 138477696) 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-(2-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine.

Molecular Properties

• Compound Name: N-(9,9'-spirobi[fluorene]-4-yl)-N-(2-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
• PubChem CID: 138477696
• Molecular Formula: C81H49NO2
• Molecular Weight: 1068.29 g/mol
• Exact Mass: 1067.38
• IUPAC Name: N-(9,9'-spirobi[fluorene]-4-yl)-N-(2-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
• SMILES: c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc(-c3ccccc3N(c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc21
• InChI: InChI=1S/C81H49NO2/c1-7-29-58-52(24-1)53-25-2-8-30-59(53)79(58)61-32-10-4-27-56(61)77-67(79)38-21-41-71(77)82(72-42-22-39-68-78(72)57-28-5-11-33-62(57)80(68)63-34-12-17-43-73(63)83-74-44-18-13-35-64(74)80)70-40-16-6-23-51(70)50-47-48-55-54-26-3-9-31-60(54)81(69(55)49-50)65-36-14-19-45-75(65)84-76-46-20-15-37-66(76)81/h1-49H
• InChIKey: WWUXRZSIPODIHT-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-(2-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine?

The IUPAC name of N-(9,9'-spirobi[fluorene]-4-yl)-N-(2-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine (CID 138477696) is N-(9,9'-spirobi[fluorene]-4-yl)-N-(2-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine.

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

The canonical SMILES for N-(9,9'-spirobi[fluorene]-4-yl)-N-(2-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine is c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc(-c3ccccc3N(c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc21.

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

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

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

N-(9,9'-spirobi[fluorene]-4-yl)-N-(2-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-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-(2-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine is sourced from PubChem (CID 138477696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).