N-(4-dibenzothiophen-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine

C74H45NO2S — CID 138477752

About N-(4-dibenzothiophen-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine

N-(4-dibenzothiophen-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine (PubChem CID 138477752) has the molecular formula C74H45NO2S and a molecular weight of 1012.25 g/mol. Its IUPAC name is N-(4-dibenzothiophen-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine.

Molecular Properties

• Compound Name: N-(4-dibenzothiophen-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
• PubChem CID: 138477752
• Molecular Formula: C74H45NO2S
• Molecular Weight: 1012.25 g/mol
• Exact Mass: 1011.32
• IUPAC Name: N-(4-dibenzothiophen-1-ylphenyl)-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(c2ccc(-c3cccc4sc5ccccc5c34)cc2)c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2ccccc2-3)c1
• InChI: InChI=1S/C74H45NO2S/c1-4-23-58-53(19-1)55-41-37-48(44-64(55)73(58)60-25-6-10-29-66(60)76-67-30-11-7-26-61(67)73)47-17-15-18-50(43-47)75(49-38-35-46(36-39-49)52-22-16-34-71-72(52)57-21-3-14-33-70(57)78-71)51-40-42-56-54-20-2-5-24-59(54)74(65(56)45-51)62-27-8-12-31-68(62)77-69-32-13-9-28-63(69)74/h1-45H
• InChIKey: FFVSNKTVEGXZDL-UHFFFAOYSA-N
• XLogP: 19.80
• TPSA: 21.70 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1012.25
LogP ≤ 5	19.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine?

The IUPAC name of N-(4-dibenzothiophen-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine (CID 138477752) is N-(4-dibenzothiophen-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine.

What is the SMILES notation for N-(4-dibenzothiophen-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine?

The canonical SMILES for N-(4-dibenzothiophen-1-ylphenyl)-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(c2ccc(-c3cccc4sc5ccccc5c34)cc2)c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2ccccc2-3)c1.

What is the InChIKey of N-(4-dibenzothiophen-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine?

The InChIKey is FFVSNKTVEGXZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H45NO2S/c1-4-23-58-53(19-1)55-41-37-48(44-64(55)73(58)60-25-6-10-29-66(60)76-67-30-11-7-26-61(67)73)47-17-15-18-50(43-47)75(49-38-35-46(36-39-49)52-22-16-34-71-72(52)57-21-3-14-33-70(57)78-71)51-40-42-56-54-20-2-5-24-59(54)74(65(56)45-51)62-27-8-12-31-68(62)77-69-32-13-9-28-63(69)74/h1-45H.

What are the key properties of N-(4-dibenzothiophen-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine?

N-(4-dibenzothiophen-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine has a molecular weight of 1012.25 g/mol, XLogP of 19.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-dibenzothiophen-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine is sourced from PubChem (CID 138477752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).