N-(3-dibenzofuran-4-ylphenyl)-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)-N-(4-phenylphenyl)aniline

C54H34N2O2 — CID 174281803

About N-(3-dibenzofuran-4-ylphenyl)-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)-N-(4-phenylphenyl)aniline

N-(3-dibenzofuran-4-ylphenyl)-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)-N-(4-phenylphenyl)aniline (PubChem CID 174281803) has the molecular formula C54H34N2O2 and a molecular weight of 742.88 g/mol. Its IUPAC name is N-(3-dibenzofuran-4-ylphenyl)-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)-N-(4-phenylphenyl)aniline.

Molecular Properties

• Compound Name: N-(3-dibenzofuran-4-ylphenyl)-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)-N-(4-phenylphenyl)aniline
• PubChem CID: 174281803
• Molecular Formula: C54H34N2O2
• Molecular Weight: 742.88 g/mol
• Exact Mass: 742.26
• IUPAC Name: N-(3-dibenzofuran-4-ylphenyl)-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)-N-(4-phenylphenyl)aniline
• SMILES: c1ccc(-c2ccc(N(c3cccc(-c4cccc5c4oc4ccccc45)c3)c3ccccc3-c3ccc4c(c3)c3cccc5c3n4-c3ccccc3O5)cc2)cc1
• InChI: InChI=1S/C54H34N2O2/c1-2-13-35(14-3-1)36-27-30-39(31-28-36)55(40-16-10-15-37(33-40)42-19-11-21-45-43-18-5-8-24-50(43)58-54(42)45)47-22-6-4-17-41(47)38-29-32-48-46(34-38)44-20-12-26-52-53(44)56(48)49-23-7-9-25-51(49)57-52/h1-34H
• InChIKey: BXXAFYLZDKCIAJ-UHFFFAOYSA-N
• XLogP: 15.26
• TPSA: 30.54 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	742.88
LogP ≤ 5	15.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-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)-N-(4-phenylphenyl)aniline?

The IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-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)-N-(4-phenylphenyl)aniline (CID 174281803) is N-(3-dibenzofuran-4-ylphenyl)-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)-N-(4-phenylphenyl)aniline.

What is the SMILES notation for N-(3-dibenzofuran-4-ylphenyl)-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)-N-(4-phenylphenyl)aniline?

The canonical SMILES for N-(3-dibenzofuran-4-ylphenyl)-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)-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3cccc(-c4cccc5c4oc4ccccc45)c3)c3ccccc3-c3ccc4c(c3)c3cccc5c3n4-c3ccccc3O5)cc2)cc1.

What is the InChIKey of N-(3-dibenzofuran-4-ylphenyl)-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)-N-(4-phenylphenyl)aniline?

The InChIKey is BXXAFYLZDKCIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2O2/c1-2-13-35(14-3-1)36-27-30-39(31-28-36)55(40-16-10-15-37(33-40)42-19-11-21-45-43-18-5-8-24-50(43)58-54(42)45)47-22-6-4-17-41(47)38-29-32-48-46(34-38)44-20-12-26-52-53(44)56(48)49-23-7-9-25-51(49)57-52/h1-34H.

What are the key properties of N-(3-dibenzofuran-4-ylphenyl)-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)-N-(4-phenylphenyl)aniline?

N-(3-dibenzofuran-4-ylphenyl)-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)-N-(4-phenylphenyl)aniline has a molecular weight of 742.88 g/mol, XLogP of 15.26, 6 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)-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)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 174281803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).