N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylaniline

C₆₅H₄₁NO — CID 171799035

About N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylaniline

N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylaniline (PubChem CID 171799035) has the molecular formula C₆₅H₄₁NO and a molecular weight of 852.05 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylaniline.

Molecular Properties

• Compound Name: N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylaniline
• PubChem CID: 171799035
• Molecular Formula: C₆₅H₄₁NO
• Molecular Weight: 852.05 g/mol
• Exact Mass: 851.32
• IUPAC Name: N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylaniline
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccccc3-c3c4c(cc5c3oc3ccccc35)-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1
• InChI: InChI=1S/C65H41NO/c1-2-17-42(18-3-1)43-33-37-46(38-34-43)66(47-39-35-45(36-40-47)49-27-16-20-44-19-4-5-21-48(44)49)60-31-14-9-26-54(60)62-63-55(41-56-53-25-10-15-32-61(53)67-64(56)62)52-24-8-13-30-59(52)65(63)57-28-11-6-22-50(57)51-23-7-12-29-58(51)65/h1-41H
• InChIKey: QAKXDVCKIPOOAW-UHFFFAOYSA-N
• XLogP: 17.55
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	852.05
LogP ≤ 5	17.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylaniline?

The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylaniline (CID 171799035) is N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylaniline.

What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylaniline?

The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylaniline is c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccccc3-c3c4c(cc5c3oc3ccccc35)-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1.

What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylaniline?

The InChIKey is QAKXDVCKIPOOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H41NO/c1-2-17-42(18-3-1)43-33-37-46(38-34-43)66(47-39-35-45(36-40-47)49-27-16-20-44-19-4-5-21-48(44)49)60-31-14-9-26-54(60)62-63-55(41-56-53-25-10-15-32-61(53)67-64(56)62)52-24-8-13-30-59(52)65(63)57-28-11-6-22-50(57)51-23-7-12-29-58(51)65/h1-41H.

What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylaniline?

N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylaniline has a molecular weight of 852.05 g/mol, XLogP of 17.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylaniline is sourced from PubChem (CID 171799035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 171799035 — identifiers, structure, computed properties (public domain)

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