N-(3-dibenzofuran-4-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)aniline

C64H40N2O2 — CID 174281333

About N-(3-dibenzofuran-4-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)aniline

N-(3-dibenzofuran-4-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)aniline (PubChem CID 174281333) has the molecular formula C64H40N2O2 and a molecular weight of 869.04 g/mol. Its IUPAC name is N-(3-dibenzofuran-4-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)aniline.

Molecular Properties

• Compound Name: N-(3-dibenzofuran-4-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)aniline
• PubChem CID: 174281333
• Molecular Formula: C64H40N2O2
• Molecular Weight: 869.04 g/mol
• Exact Mass: 868.31
• IUPAC Name: N-(3-dibenzofuran-4-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)aniline
• SMILES: c1cc(-c2ccc(N(c3cccc(-c4cccc5c4oc4ccccc45)c3)c3ccccc3-c3ccc4c(c3)c3cccc5c3n4-c3ccccc3O5)cc2)cc(-c2ccc3ccccc3c2)c1
• InChI: InChI=1S/C64H40N2O2/c1-2-14-43-38-46(30-29-41(43)13-1)45-16-9-15-44(37-45)42-31-34-49(35-32-42)65(50-18-10-17-47(39-50)52-21-11-23-55-53-20-4-7-26-60(53)68-64(52)55)57-24-5-3-19-51(57)48-33-36-58-56(40-48)54-22-12-28-62-63(54)66(58)59-25-6-8-27-61(59)67-62/h1-40H
• InChIKey: ZQTYHBYCXGRDCD-UHFFFAOYSA-N
• XLogP: 18.08
• TPSA: 30.54 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	869.04
LogP ≤ 5	18.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)aniline?

The IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)aniline (CID 174281333) is N-(3-dibenzofuran-4-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)aniline.

What is the SMILES notation for N-(3-dibenzofuran-4-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)aniline?

The canonical SMILES for N-(3-dibenzofuran-4-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)aniline is c1cc(-c2ccc(N(c3cccc(-c4cccc5c4oc4ccccc45)c3)c3ccccc3-c3ccc4c(c3)c3cccc5c3n4-c3ccccc3O5)cc2)cc(-c2ccc3ccccc3c2)c1.

What is the InChIKey of N-(3-dibenzofuran-4-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)aniline?

The InChIKey is ZQTYHBYCXGRDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N2O2/c1-2-14-43-38-46(30-29-41(43)13-1)45-16-9-15-44(37-45)42-31-34-49(35-32-42)65(50-18-10-17-47(39-50)52-21-11-23-55-53-20-4-7-26-60(53)68-64(52)55)57-24-5-3-19-51(57)48-33-36-58-56(40-48)54-22-12-28-62-63(54)66(58)59-25-6-8-27-61(59)67-62/h1-40H.

What are the key properties of N-(3-dibenzofuran-4-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)aniline?

N-(3-dibenzofuran-4-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)aniline has a molecular weight of 869.04 g/mol, XLogP of 18.08, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-dibenzofuran-4-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)aniline is sourced from PubChem (CID 174281333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).