2',7'-ditert-butyl-N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-4-amine

C76H59NO2 — CID 174287009

About 2',7'-ditert-butyl-N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-4-amine

2',7'-ditert-butyl-N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-4-amine (PubChem CID 174287009) has the molecular formula C76H59NO2 and a molecular weight of 1018.31 g/mol. Its IUPAC name is 2',7'-ditert-butyl-N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-4-amine.

Molecular Properties

• Compound Name: 2',7'-ditert-butyl-N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-4-amine
• PubChem CID: 174287009
• Molecular Formula: C76H59NO2
• Molecular Weight: 1018.31 g/mol
• Exact Mass: 1017.45
• IUPAC Name: 2',7'-ditert-butyl-N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-4-amine
• SMILES: CC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3O2)c2ccccc2-c2c(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccccc3-c3cccc4c3oc3ccccc34)cccc21
• InChI: InChI=1S/C76H59NO2/c1-73(2,3)50-39-43-69-64(45-50)76(65-46-51(74(4,5)6)40-44-70(65)78-69)61-34-18-14-30-59(61)71-62(76)35-22-37-67(71)77(66-36-19-15-28-55(66)57-31-21-32-58-56-29-16-20-38-68(56)79-72(57)58)52-41-42-54-53-27-13-17-33-60(53)75(63(54)47-52,48-23-9-7-10-24-48)49-25-11-8-12-26-49/h7-47H,1-6H3
• InChIKey: FEIWPTPJMOONEI-UHFFFAOYSA-N
• XLogP: 20.15
• TPSA: 25.61 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1018.31
LogP ≤ 5	20.15
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-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-4-amine?

The IUPAC name of 2',7'-ditert-butyl-N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-4-amine (CID 174287009) is 2',7'-ditert-butyl-N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-4-amine.

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

The canonical SMILES for 2',7'-ditert-butyl-N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-4-amine is CC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3O2)c2ccccc2-c2c(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccccc3-c3cccc4c3oc3ccccc34)cccc21.

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

The InChIKey is FEIWPTPJMOONEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H59NO2/c1-73(2,3)50-39-43-69-64(45-50)76(65-46-51(74(4,5)6)40-44-70(65)78-69)61-34-18-14-30-59(61)71-62(76)35-22-37-67(71)77(66-36-19-15-28-55(66)57-31-21-32-58-56-29-16-20-38-68(56)79-72(57)58)52-41-42-54-53-27-13-17-33-60(53)75(63(54)47-52,48-23-9-7-10-24-48)49-25-11-8-12-26-49/h7-47H,1-6H3.

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

2',7'-ditert-butyl-N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-4-amine has a molecular weight of 1018.31 g/mol, XLogP of 20.15, 6 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-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-4-amine is sourced from PubChem (CID 174287009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).