N-dibenzofuran-3-yl-N-(9-phenylcarbazol-3-yl)-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-(9-phenylcarbazol-3-yl)-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-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15-octaen-5-amine

C144H93N9O — CID 161368839

About N-dibenzofuran-3-yl-N-(9-phenylcarbazol-3-yl)-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-(9-phenylcarbazol-3-yl)-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-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15-octaen-5-amine

N-dibenzofuran-3-yl-N-(9-phenylcarbazol-3-yl)-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-(9-phenylcarbazol-3-yl)-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-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15-octaen-5-amine (PubChem CID 161368839) has the molecular formula C144H93N9O and a molecular weight of 1965.39 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-(9-phenylcarbazol-3-yl)-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-(9-phenylcarbazol-3-yl)-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-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15-octaen-5-amine.

Molecular Properties

• Compound Name: N-dibenzofuran-3-yl-N-(9-phenylcarbazol-3-yl)-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-(9-phenylcarbazol-3-yl)-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-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15-octaen-5-amine
• PubChem CID: 161368839
• Molecular Formula: C144H93N9O
• Molecular Weight: 1965.39 g/mol
• Exact Mass: 1963.75
• IUPAC Name: N-dibenzofuran-3-yl-N-(9-phenylcarbazol-3-yl)-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-(9-phenylcarbazol-3-yl)-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-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15-octaen-5-amine
• SMILES: C1=CCC2C(=C1)c1cccc3c4cc(N(c5ccc(-c6ccccc6)cc5)c5cccc6c5c5ccccc5n6-c5ccccc5)ccc4n2c13.c1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccc4c(c3)c3cccc5c6ccccc6n4c53)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5c(c4)c4cccc6c7ccccc7n5c64)ccc32)cc1
• InChI: InChI=1S/C48H29N3O.C48H31N3.C48H33N3/c1-2-11-30(12-3-1)50-42-18-7-5-14-35(42)40-27-31(22-25-44(40)50)49(33-21-24-37-36-15-6-9-20-46(36)52-47(37)29-33)32-23-26-45-41(28-32)39-17-10-16-38-34-13-4-8-19-43(34)51(45)48(38)39;1-3-12-32(13-4-1)33-22-24-35(25-23-33)49(36-26-28-46-42(30-36)39-17-8-9-20-44(39)50(46)34-14-5-2-6-15-34)37-27-29-47-43(31-37)41-19-11-18-40-38-16-7-10-21-45(38)51(47)48(40)41;1-3-13-32(14-4-1)33-25-27-35(28-26-33)49(45-23-12-24-46-47(45)40-18-8-10-22-43(40)50(46)34-15-5-2-6-16-34)36-29-30-44-41(31-36)39-20-11-19-38-37-17-7-9-21-42(37)51(44)48(38)39/h1-29H;1-31H;1-20,22-31,42H,21H2
• InChIKey: VQERSEPBYWCDET-UHFFFAOYSA-N
• XLogP: 39.30
• TPSA: 51.40 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1965.39
LogP ≤ 5	39.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N-(9-phenylcarbazol-3-yl)-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-(9-phenylcarbazol-3-yl)-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-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15-octaen-5-amine?

The IUPAC name of N-dibenzofuran-3-yl-N-(9-phenylcarbazol-3-yl)-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-(9-phenylcarbazol-3-yl)-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-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15-octaen-5-amine (CID 161368839) is N-dibenzofuran-3-yl-N-(9-phenylcarbazol-3-yl)-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-(9-phenylcarbazol-3-yl)-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-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15-octaen-5-amine.

What is the SMILES notation for N-dibenzofuran-3-yl-N-(9-phenylcarbazol-3-yl)-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-(9-phenylcarbazol-3-yl)-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-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15-octaen-5-amine?

The canonical SMILES for N-dibenzofuran-3-yl-N-(9-phenylcarbazol-3-yl)-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-(9-phenylcarbazol-3-yl)-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-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15-octaen-5-amine is C1=CCC2C(=C1)c1cccc3c4cc(N(c5ccc(-c6ccccc6)cc5)c5cccc6c5c5ccccc5n6-c5ccccc5)ccc4n2c13.c1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccc4c(c3)c3cccc5c6ccccc6n4c53)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5c(c4)c4cccc6c7ccccc7n5c64)ccc32)cc1.

What is the InChIKey of N-dibenzofuran-3-yl-N-(9-phenylcarbazol-3-yl)-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-(9-phenylcarbazol-3-yl)-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-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15-octaen-5-amine?

The InChIKey is VQERSEPBYWCDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N3O.C48H31N3.C48H33N3/c1-2-11-30(12-3-1)50-42-18-7-5-14-35(42)40-27-31(22-25-44(40)50)49(33-21-24-37-36-15-6-9-20-46(36)52-47(37)29-33)32-23-26-45-41(28-32)39-17-10-16-38-34-13-4-8-19-43(34)51(45)48(38)39;1-3-12-32(13-4-1)33-22-24-35(25-23-33)49(36-26-28-46-42(30-36)39-17-8-9-20-44(39)50(46)34-14-5-2-6-15-34)37-27-29-47-43(31-37)41-19-11-18-40-38-16-7-10-21-45(38)51(47)48(40)41;1-3-13-32(14-4-1)33-25-27-35(28-26-33)49(45-23-12-24-46-47(45)40-18-8-10-22-43(40)50(46)34-15-5-2-6-16-34)36-29-30-44-41(31-36)39-20-11-19-38-37-17-7-9-21-42(37)51(44)48(38)39/h1-29H;1-31H;1-20,22-31,42H,21H2.

What are the key properties of N-dibenzofuran-3-yl-N-(9-phenylcarbazol-3-yl)-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-(9-phenylcarbazol-3-yl)-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-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15-octaen-5-amine?

N-dibenzofuran-3-yl-N-(9-phenylcarbazol-3-yl)-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-(9-phenylcarbazol-3-yl)-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-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15-octaen-5-amine has a molecular weight of 1965.39 g/mol, XLogP of 39.30, 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-(9-phenylcarbazol-3-yl)-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-(9-phenylcarbazol-3-yl)-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-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15-octaen-5-amine is sourced from PubChem (CID 161368839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).