N-dibenzofuran-3-yl-N-(4-dibenzofuran-3-ylphenyl)-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-2-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

C144H88N6O4 — CID 160891251

About N-dibenzofuran-3-yl-N-(4-dibenzofuran-3-ylphenyl)-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-2-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

N-dibenzofuran-3-yl-N-(4-dibenzofuran-3-ylphenyl)-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-2-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 160891251) has the molecular formula C144H88N6O4 and a molecular weight of 1966.33 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-(4-dibenzofuran-3-ylphenyl)-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-2-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.

Molecular Properties

• Compound Name: N-dibenzofuran-3-yl-N-(4-dibenzofuran-3-ylphenyl)-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-2-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: 160891251
• Molecular Formula: C144H88N6O4
• Molecular Weight: 1966.33 g/mol
• Exact Mass: 1964.69
• IUPAC Name: N-dibenzofuran-3-yl-N-(4-dibenzofuran-3-ylphenyl)-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-2-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
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc4c(c3)c3cccc5c6ccccc6n4c53)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c(c3)c3cccc5c6ccccc6n4c53)cc2)cc1.c1ccc2c(c1)oc1cc(-c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5c(c4)c4cccc6c7ccccc7n5c64)cc3)ccc12
• InChI: InChI=1S/C48H28N2O2.2C48H30N2O/c1-4-13-42-34(8-1)39-11-7-12-40-41-27-32(22-25-43(41)50(42)48(39)40)49(33-21-24-38-36-10-3-6-15-45(36)52-47(38)28-33)31-19-16-29(17-20-31)30-18-23-37-35-9-2-5-14-44(35)51-46(37)26-30;1-2-10-31(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;1-2-9-31(10-3-1)32-17-22-35(23-18-32)49(36-24-19-33(20-25-36)34-21-28-47-43(29-34)39-12-5-7-16-46(39)51-47)37-26-27-45-42(30-37)41-14-8-13-40-38-11-4-6-15-44(38)50(45)48(40)41/h1-28H;2*1-30H
• InChIKey: SOHJLQIXMQIQLC-UHFFFAOYSA-N
• XLogP: 40.85
• TPSA: 75.51 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1966.33
LogP ≤ 5	40.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N-(4-dibenzofuran-3-ylphenyl)-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-2-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?

The IUPAC name of N-dibenzofuran-3-yl-N-(4-dibenzofuran-3-ylphenyl)-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-2-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 (CID 160891251) is N-dibenzofuran-3-yl-N-(4-dibenzofuran-3-ylphenyl)-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-2-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.

What is the SMILES notation for N-dibenzofuran-3-yl-N-(4-dibenzofuran-3-ylphenyl)-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-2-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?

The canonical SMILES for N-dibenzofuran-3-yl-N-(4-dibenzofuran-3-ylphenyl)-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-2-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 is c1ccc(-c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc4c(c3)c3cccc5c6ccccc6n4c53)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c(c3)c3cccc5c6ccccc6n4c53)cc2)cc1.c1ccc2c(c1)oc1cc(-c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5c(c4)c4cccc6c7ccccc7n5c64)cc3)ccc12.

What is the InChIKey of N-dibenzofuran-3-yl-N-(4-dibenzofuran-3-ylphenyl)-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-2-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?

The InChIKey is SOHJLQIXMQIQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N2O2.2C48H30N2O/c1-4-13-42-34(8-1)39-11-7-12-40-41-27-32(22-25-43(41)50(42)48(39)40)49(33-21-24-38-36-10-3-6-15-45(36)52-47(38)28-33)31-19-16-29(17-20-31)30-18-23-37-35-9-2-5-14-44(35)51-46(37)26-30;1-2-10-31(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;1-2-9-31(10-3-1)32-17-22-35(23-18-32)49(36-24-19-33(20-25-36)34-21-28-47-43(29-34)39-12-5-7-16-46(39)51-47)37-26-27-45-42(30-37)41-14-8-13-40-38-11-4-6-15-44(38)50(45)48(40)41/h1-28H;2*1-30H.

What are the key properties of N-dibenzofuran-3-yl-N-(4-dibenzofuran-3-ylphenyl)-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-2-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?

N-dibenzofuran-3-yl-N-(4-dibenzofuran-3-ylphenyl)-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-2-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 1966.33 g/mol, XLogP of 40.85, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-dibenzofuran-3-yl-N-(4-dibenzofuran-3-ylphenyl)-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-2-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 is sourced from PubChem (CID 160891251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).