N-naphthalen-1-yl-N-(6-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzofuran-3-amine

C₆₁H₃₇NO — CID 168811913

About N-naphthalen-1-yl-N-(6-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzofuran-3-amine

N-naphthalen-1-yl-N-(6-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzofuran-3-amine (PubChem CID 168811913) has the molecular formula C₆₁H₃₇NO and a molecular weight of 799.97 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-(6-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzofuran-3-amine.

Molecular Properties

• Compound Name: N-naphthalen-1-yl-N-(6-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzofuran-3-amine
• PubChem CID: 168811913
• Molecular Formula: C₆₁H₃₇NO
• Molecular Weight: 799.97 g/mol
• Exact Mass: 799.29
• IUPAC Name: N-naphthalen-1-yl-N-(6-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzofuran-3-amine
• SMILES: c1ccc2c(c1)-c1ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4ccccc34)cc1C21c2ccccc2-c2cccc3ccc(-c4cccc5ccccc45)c1c23
• InChI: InChI=1S/C61H37NO/c1-3-19-43-38(14-1)16-11-24-45(43)52-33-30-40-18-12-25-51-47-22-6-9-27-54(47)61(60(52)59(40)51)53-26-8-5-21-46(53)48-34-31-41(36-55(48)61)62(56-28-13-17-39-15-2-4-20-44(39)56)42-32-35-50-49-23-7-10-29-57(49)63-58(50)37-42/h1-37H
• InChIKey: FLIRDGZHZGPVOG-UHFFFAOYSA-N
• XLogP: 16.53
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	799.97
LogP ≤ 5	16.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-(6-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzofuran-3-amine?

The IUPAC name of N-naphthalen-1-yl-N-(6-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzofuran-3-amine (CID 168811913) is N-naphthalen-1-yl-N-(6-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzofuran-3-amine.

What is the SMILES notation for N-naphthalen-1-yl-N-(6-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzofuran-3-amine?

The canonical SMILES for N-naphthalen-1-yl-N-(6-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzofuran-3-amine is c1ccc2c(c1)-c1ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4ccccc34)cc1C21c2ccccc2-c2cccc3ccc(-c4cccc5ccccc45)c1c23.

What is the InChIKey of N-naphthalen-1-yl-N-(6-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzofuran-3-amine?

The InChIKey is FLIRDGZHZGPVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H37NO/c1-3-19-43-38(14-1)16-11-24-45(43)52-33-30-40-18-12-25-51-47-22-6-9-27-54(47)61(60(52)59(40)51)53-26-8-5-21-46(53)48-34-31-41(36-55(48)61)62(56-28-13-17-39-15-2-4-20-44(39)56)42-32-35-50-49-23-7-10-29-57(49)63-58(50)37-42/h1-37H.

What are the key properties of N-naphthalen-1-yl-N-(6-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzofuran-3-amine?

N-naphthalen-1-yl-N-(6-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzofuran-3-amine has a molecular weight of 799.97 g/mol, XLogP of 16.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-naphthalen-1-yl-N-(6-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzofuran-3-amine is sourced from PubChem (CID 168811913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 168811913 — identifiers, structure, computed properties (public domain)

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