N-(4-naphtho[1,2-b][1]benzofuran-7-ylcyclohexa-1,5-dien-1-yl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine

C56H35NO3 — CID 166939149

About N-(4-naphtho[1,2-b][1]benzofuran-7-ylcyclohexa-1,5-dien-1-yl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine

N-(4-naphtho[1,2-b][1]benzofuran-7-ylcyclohexa-1,5-dien-1-yl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine (PubChem CID 166939149) has the molecular formula C56H35NO3 and a molecular weight of 769.90 g/mol. Its IUPAC name is N-(4-naphtho[1,2-b][1]benzofuran-7-ylcyclohexa-1,5-dien-1-yl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine.

Molecular Properties

• Compound Name: N-(4-naphtho[1,2-b][1]benzofuran-7-ylcyclohexa-1,5-dien-1-yl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine
• PubChem CID: 166939149
• Molecular Formula: C56H35NO3
• Molecular Weight: 769.90 g/mol
• Exact Mass: 769.26
• IUPAC Name: N-(4-naphtho[1,2-b][1]benzofuran-7-ylcyclohexa-1,5-dien-1-yl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine
• SMILES: C1=CC(c2cccc3oc4c5ccccc5ccc4c23)CC=C1N(c1ccc(-c2cccc3oc4c5ccccc5ccc4c23)cc1)c1cccc2oc3ccccc3c12
• InChI: InChI=1S/C56H35NO3/c1-3-12-42-34(10-1)26-32-45-52-40(15-7-19-49(52)59-55(42)45)36-22-28-38(29-23-36)57(47-17-9-21-51-54(47)44-14-5-6-18-48(44)58-51)39-30-24-37(25-31-39)41-16-8-20-50-53(41)46-33-27-35-11-2-4-13-43(35)56(46)60-50/h1-24,26-33,37H,25H2
• InChIKey: QXDAYFCUALYRQQ-UHFFFAOYSA-N
• XLogP: 16.12
• TPSA: 42.66 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	769.90
LogP ≤ 5	16.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(4-naphtho[1,2-b][1]benzofuran-7-ylcyclohexa-1,5-dien-1-yl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine?

The IUPAC name of N-(4-naphtho[1,2-b][1]benzofuran-7-ylcyclohexa-1,5-dien-1-yl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine (CID 166939149) is N-(4-naphtho[1,2-b][1]benzofuran-7-ylcyclohexa-1,5-dien-1-yl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine.

What is the SMILES notation for N-(4-naphtho[1,2-b][1]benzofuran-7-ylcyclohexa-1,5-dien-1-yl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine?

The canonical SMILES for N-(4-naphtho[1,2-b][1]benzofuran-7-ylcyclohexa-1,5-dien-1-yl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine is C1=CC(c2cccc3oc4c5ccccc5ccc4c23)CC=C1N(c1ccc(-c2cccc3oc4c5ccccc5ccc4c23)cc1)c1cccc2oc3ccccc3c12.

What is the InChIKey of N-(4-naphtho[1,2-b][1]benzofuran-7-ylcyclohexa-1,5-dien-1-yl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine?

The InChIKey is QXDAYFCUALYRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35NO3/c1-3-12-42-34(10-1)26-32-45-52-40(15-7-19-49(52)59-55(42)45)36-22-28-38(29-23-36)57(47-17-9-21-51-54(47)44-14-5-6-18-48(44)58-51)39-30-24-37(25-31-39)41-16-8-20-50-53(41)46-33-27-35-11-2-4-13-43(35)56(46)60-50/h1-24,26-33,37H,25H2.

What are the key properties of N-(4-naphtho[1,2-b][1]benzofuran-7-ylcyclohexa-1,5-dien-1-yl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine?

N-(4-naphtho[1,2-b][1]benzofuran-7-ylcyclohexa-1,5-dien-1-yl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine has a molecular weight of 769.90 g/mol, XLogP of 16.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-naphtho[1,2-b][1]benzofuran-7-ylcyclohexa-1,5-dien-1-yl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 166939149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).