N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine

C48H30N2O — CID 118186890

About N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine

N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine (PubChem CID 118186890) has the molecular formula C48H30N2O and a molecular weight of 650.78 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine.

Molecular Properties

• Compound Name: N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine
• PubChem CID: 118186890
• Molecular Formula: C48H30N2O
• Molecular Weight: 650.78 g/mol
• Exact Mass: 650.24
• IUPAC Name: N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c(c3)c3cccc5c6ccccc6n4c53)cc2)cc1
• InChI: InChI=1S/C48H30N2O/c1-2-10-31(11-3-1)32-20-24-34(25-21-32)49(35-26-22-33(23-27-35)37-14-8-17-42-39-13-5-7-19-46(39)51-48(37)42)36-28-29-45-43(30-36)41-16-9-15-40-38-12-4-6-18-44(38)50(45)47(40)41/h1-30H
• InChIKey: ZJONVPPKAMAVJH-UHFFFAOYSA-N
• XLogP: 13.54
• TPSA: 20.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	650.78
LogP ≤ 5	13.54
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-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine?

The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine (CID 118186890) is N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine.

What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine?

The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c(c3)c3cccc5c6ccccc6n4c53)cc2)cc1.

What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine?

The InChIKey is ZJONVPPKAMAVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O/c1-2-10-31(11-3-1)32-20-24-34(25-21-32)49(35-26-22-33(23-27-35)37-14-8-17-42-39-13-5-7-19-46(39)51-48(37)42)36-28-29-45-43(30-36)41-16-9-15-40-38-12-4-6-18-44(38)50(45)47(40)41/h1-30H.

What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine?

N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine has a molecular weight of 650.78 g/mol, XLogP of 13.54, 5 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-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine is sourced from PubChem (CID 118186890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).