N-dibenzofuran-4-yl-N-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran-9-amine

C₃₅H₂₀N₂O₂ — CID 123611814

About N-dibenzofuran-4-yl-N-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran-9-amine

N-dibenzofuran-4-yl-N-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran-9-amine (PubChem CID 123611814) has the molecular formula C₃₅H₂₀N₂O₂ and a molecular weight of 500.56 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-N-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran-9-amine.

Molecular Properties

• Compound Name: N-dibenzofuran-4-yl-N-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran-9-amine
• PubChem CID: 123611814
• Molecular Formula: C₃₅H₂₀N₂O₂
• Molecular Weight: 500.56 g/mol
• Exact Mass: 500.15
• IUPAC Name: N-dibenzofuran-4-yl-N-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran-9-amine
• SMILES: [C-]#[N+]c1ccc(N(c2ccc3c(c2)oc2ccc4ccccc4c23)c2cccc3c2oc2ccccc23)cc1
• InChI: InChI=1S/C35H20N2O2/c1-36-23-14-16-24(17-15-23)37(30-11-6-10-28-27-9-4-5-12-31(27)39-35(28)30)25-18-19-29-33(21-25)38-32-20-13-22-7-2-3-8-26(22)34(29)32/h2-21H
• InChIKey: NBAQBCWZZGMYPR-UHFFFAOYSA-N
• XLogP: 10.66
• TPSA: 33.88 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.56
LogP ≤ 5	10.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-N-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran-9-amine?

The IUPAC name of N-dibenzofuran-4-yl-N-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran-9-amine (CID 123611814) is N-dibenzofuran-4-yl-N-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran-9-amine.

What is the SMILES notation for N-dibenzofuran-4-yl-N-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran-9-amine?

The canonical SMILES for N-dibenzofuran-4-yl-N-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran-9-amine is [C-]#[N+]c1ccc(N(c2ccc3c(c2)oc2ccc4ccccc4c23)c2cccc3c2oc2ccccc23)cc1.

What is the InChIKey of N-dibenzofuran-4-yl-N-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran-9-amine?

The InChIKey is NBAQBCWZZGMYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H20N2O2/c1-36-23-14-16-24(17-15-23)37(30-11-6-10-28-27-9-4-5-12-31(27)39-35(28)30)25-18-19-29-33(21-25)38-32-20-13-22-7-2-3-8-26(22)34(29)32/h2-21H.

What are the key properties of N-dibenzofuran-4-yl-N-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran-9-amine?

N-dibenzofuran-4-yl-N-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran-9-amine has a molecular weight of 500.56 g/mol, XLogP of 10.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-dibenzofuran-4-yl-N-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran-9-amine is sourced from PubChem (CID 123611814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 123611814 — identifiers, structure, computed properties (public domain)

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