N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-amine

C₄₉H₃₁NO — CID 134551151

About N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-amine

N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-amine (PubChem CID 134551151) has the molecular formula C₄₉H₃₁NO and a molecular weight of 649.79 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-amine.

Molecular Properties

• Compound Name: N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-amine
• PubChem CID: 134551151
• Molecular Formula: C₄₉H₃₁NO
• Molecular Weight: 649.79 g/mol
• Exact Mass: 649.24
• IUPAC Name: N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-amine
• SMILES: c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2cccc3c2C2(c4ccccc4-c4ccccc42)c2c-3oc3ccccc23)cc1
• InChI: InChI=1S/C49H31NO/c1-2-16-34(17-3-1)50(35-30-28-33(29-31-35)37-22-12-15-32-14-4-5-18-36(32)37)44-26-13-23-41-46(44)49(47-40-21-8-11-27-45(40)51-48(41)47)42-24-9-6-19-38(42)39-20-7-10-25-43(39)49/h1-31H
• InChIKey: ZJAMPXJNYVTNHL-UHFFFAOYSA-N
• XLogP: 13.07
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	649.79
LogP ≤ 5	13.07
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-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-amine?

The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-amine (CID 134551151) is N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-amine.

What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-amine?

The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-amine is c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2cccc3c2C2(c4ccccc4-c4ccccc42)c2c-3oc3ccccc23)cc1.

What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-amine?

The InChIKey is ZJAMPXJNYVTNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31NO/c1-2-16-34(17-3-1)50(35-30-28-33(29-31-35)37-22-12-15-32-14-4-5-18-36(32)37)44-26-13-23-41-46(44)49(47-40-21-8-11-27-45(40)51-48(41)47)42-24-9-6-19-38(42)39-20-7-10-25-43(39)49/h1-31H.

What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-amine?

N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-amine has a molecular weight of 649.79 g/mol, XLogP of 13.07, 4 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-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-amine is sourced from PubChem (CID 134551151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 134551151 — identifiers, structure, computed properties (public domain)

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