2,7-ditert-butyl-N-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4'-yl)-4-methyl-N-(2-naphthalen-1-ylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine

C83H75NO2 — CID 174280707

About 2,7-ditert-butyl-N-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4'-yl)-4-methyl-N-(2-naphthalen-1-ylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine

2,7-ditert-butyl-N-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4'-yl)-4-methyl-N-(2-naphthalen-1-ylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine (PubChem CID 174280707) has the molecular formula C83H75NO2 and a molecular weight of 1118.52 g/mol. Its IUPAC name is 2,7-ditert-butyl-N-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4'-yl)-4-methyl-N-(2-naphthalen-1-ylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine.

Molecular Properties

• Compound Name: 2,7-ditert-butyl-N-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4'-yl)-4-methyl-N-(2-naphthalen-1-ylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine
• PubChem CID: 174280707
• Molecular Formula: C83H75NO2
• Molecular Weight: 1118.52 g/mol
• Exact Mass: 1117.58
• IUPAC Name: 2,7-ditert-butyl-N-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4'-yl)-4-methyl-N-(2-naphthalen-1-ylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine
• SMILES: Cc1cc(C(C)(C)C)cc2c1-c1ccc(C(C)(C)C)cc1C21c2ccccc2Oc2ccc(N(c3ccccc3-c3cccc4ccccc34)c3cccc4c3Oc3ccccc3C43c4cc(C(C)(C)C)ccc4-c4ccc(C(C)(C)C)cc43)cc21
• InChI: InChI=1S/C83H75NO2/c1-50-44-55(81(11,12)13)48-70-76(50)62-42-38-54(80(8,9)10)47-68(62)83(70)63-29-17-20-34-73(63)85-75-43-39-56(49-69(75)83)84(71-32-19-16-27-61(71)58-28-22-25-51-24-14-15-26-57(51)58)72-33-23-31-65-77(72)86-74-35-21-18-30-64(74)82(65)66-45-52(78(2,3)4)36-40-59(66)60-41-37-53(46-67(60)82)79(5,6)7/h14-49H,1-13H3
• InChIKey: GTNDWRVAASQFNJ-UHFFFAOYSA-N
• XLogP: 22.41
• TPSA: 21.70 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1118.52
LogP ≤ 5	22.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butyl-N-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4'-yl)-4-methyl-N-(2-naphthalen-1-ylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine?

The IUPAC name of 2,7-ditert-butyl-N-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4'-yl)-4-methyl-N-(2-naphthalen-1-ylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine (CID 174280707) is 2,7-ditert-butyl-N-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4'-yl)-4-methyl-N-(2-naphthalen-1-ylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine.

What is the SMILES notation for 2,7-ditert-butyl-N-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4'-yl)-4-methyl-N-(2-naphthalen-1-ylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine?

The canonical SMILES for 2,7-ditert-butyl-N-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4'-yl)-4-methyl-N-(2-naphthalen-1-ylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine is Cc1cc(C(C)(C)C)cc2c1-c1ccc(C(C)(C)C)cc1C21c2ccccc2Oc2ccc(N(c3ccccc3-c3cccc4ccccc34)c3cccc4c3Oc3ccccc3C43c4cc(C(C)(C)C)ccc4-c4ccc(C(C)(C)C)cc43)cc21.

What is the InChIKey of 2,7-ditert-butyl-N-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4'-yl)-4-methyl-N-(2-naphthalen-1-ylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine?

The InChIKey is GTNDWRVAASQFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H75NO2/c1-50-44-55(81(11,12)13)48-70-76(50)62-42-38-54(80(8,9)10)47-68(62)83(70)63-29-17-20-34-73(63)85-75-43-39-56(49-69(75)83)84(71-32-19-16-27-61(71)58-28-22-25-51-24-14-15-26-57(51)58)72-33-23-31-65-77(72)86-74-35-21-18-30-64(74)82(65)66-45-52(78(2,3)4)36-40-59(66)60-41-37-53(46-67(60)82)79(5,6)7/h14-49H,1-13H3.

What are the key properties of 2,7-ditert-butyl-N-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4'-yl)-4-methyl-N-(2-naphthalen-1-ylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine?

2,7-ditert-butyl-N-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4'-yl)-4-methyl-N-(2-naphthalen-1-ylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine has a molecular weight of 1118.52 g/mol, XLogP of 22.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,7-ditert-butyl-N-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4'-yl)-4-methyl-N-(2-naphthalen-1-ylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine is sourced from PubChem (CID 174280707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).