N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine

C₅₂H₃₃NO₂ — CID 168804081

About N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine

N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine (PubChem CID 168804081) has the molecular formula C₅₂H₃₃NO₂ and a molecular weight of 703.84 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine.

Molecular Properties

• Compound Name: N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
• PubChem CID: 168804081
• Molecular Formula: C₅₂H₃₃NO₂
• Molecular Weight: 703.84 g/mol
• Exact Mass: 703.25
• IUPAC Name: N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
• SMILES: c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4cccc5c4oc4c6ccccc6ccc54)cc3)cc2)cc1
• InChI: InChI=1S/C52H33NO2/c1-2-10-34(11-3-1)35-20-22-36(23-21-35)37-24-29-40(30-25-37)53(48-18-9-17-46-47-33-28-38-12-4-5-13-42(38)51(47)55-52(46)48)41-31-26-39(27-32-41)43-15-8-16-45-44-14-6-7-19-49(44)54-50(43)45/h1-33H
• InChIKey: QVEPSVJDOCZEND-UHFFFAOYSA-N
• XLogP: 15.11
• TPSA: 29.52 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	703.84
LogP ≤ 5	15.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine?

The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine (CID 168804081) is N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine.

What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine?

The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4cccc5c4oc4c6ccccc6ccc54)cc3)cc2)cc1.

What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine?

The InChIKey is QVEPSVJDOCZEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NO2/c1-2-10-34(11-3-1)35-20-22-36(23-21-35)37-24-29-40(30-25-37)53(48-18-9-17-46-47-33-28-38-12-4-5-13-42(38)51(47)55-52(46)48)41-31-26-39(27-32-41)43-15-8-16-45-44-14-6-7-19-49(44)54-50(43)45/h1-33H.

What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine?

N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine has a molecular weight of 703.84 g/mol, XLogP of 15.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine is sourced from PubChem (CID 168804081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 168804081 — identifiers, structure, computed properties (public domain)

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