2-phenyl-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline

C74H47NO2 — CID 138477572

About 2-phenyl-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline

2-phenyl-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline (PubChem CID 138477572) has the molecular formula C74H47NO2 and a molecular weight of 982.20 g/mol. Its IUPAC name is 2-phenyl-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline.

Molecular Properties

• Compound Name: 2-phenyl-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
• PubChem CID: 138477572
• Molecular Formula: C74H47NO2
• Molecular Weight: 982.20 g/mol
• Exact Mass: 981.36
• IUPAC Name: 2-phenyl-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
• SMILES: c1ccc(-c2ccccc2N(c2ccc(-c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)cc2)c2ccccc2-c2ccc3c(c2)-c2ccccc2C32c3ccccc3Oc3ccccc32)cc1
• InChI: InChI=1S/C74H47NO2/c1-2-21-48(22-3-1)52-23-6-14-35-66(52)75(51-44-41-49(42-45-51)54-27-20-34-65-72(54)56-26-5-9-29-59(56)74(65)63-32-12-18-39-70(63)77-71-40-19-13-33-64(71)74)67-36-15-7-24-53(67)50-43-46-60-57(47-50)55-25-4-8-28-58(55)73(60)61-30-10-16-37-68(61)76-69-38-17-11-31-62(69)73/h1-47H
• InChIKey: UGOSYGUPEPKOMS-UHFFFAOYSA-N
• XLogP: 19.09
• TPSA: 21.70 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	982.20
LogP ≤ 5	19.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2-phenyl-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline (CID 138477572) is 2-phenyl-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline.

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

The canonical SMILES for 2-phenyl-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline is c1ccc(-c2ccccc2N(c2ccc(-c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)cc2)c2ccccc2-c2ccc3c(c2)-c2ccccc2C32c3ccccc3Oc3ccccc32)cc1.

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

The InChIKey is UGOSYGUPEPKOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H47NO2/c1-2-21-48(22-3-1)52-23-6-14-35-66(52)75(51-44-41-49(42-45-51)54-27-20-34-65-72(54)56-26-5-9-29-59(56)74(65)63-32-12-18-39-70(63)77-71-40-19-13-33-64(71)74)67-36-15-7-24-53(67)50-43-46-60-57(47-50)55-25-4-8-28-58(55)73(60)61-30-10-16-37-68(61)76-69-38-17-11-31-62(69)73/h1-47H.

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

2-phenyl-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline has a molecular weight of 982.20 g/mol, XLogP of 19.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline is sourced from PubChem (CID 138477572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).