4-[17-(4-amino-3,5-dimethylphenyl)-12-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-yl]-2,6-dimethylaniline;4-[17-(4-amino-3,5-dimethylphenyl)-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-yl]-2,6-dimethylaniline;4-[9-(4-amino-3,5-dimethylphenyl)indeno[1,2-b]pyrazin-9-yl]-2,6-dimethylaniline;4-[11-(4-amino-3,5-dimethylphenyl)indeno[1,2-b]quinoxalin-11-yl]-2,6-dimethylaniline;4-[9-(4-amino-3,5-dimethylphenyl)indeno[1,2-f][1]benzofuran-9-yl]-2,6-dimethylaniline;4-[9-(4-amino-3,5-dimethylphenyl)-1H-indeno[1,2-f]indol-9-yl]-2,6-dimethylaniline

C184H169N19O — CID 158400647

About 4-[17-(4-amino-3,5-dimethylphenyl)-12-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-yl]-2,6-dimethylaniline;4-[17-(4-amino-3,5-dimethylphenyl)-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-yl]-2,6-dimethylaniline;4-[9-(4-amino-3,5-dimethylphenyl)indeno[1,2-b]pyrazin-9-yl]-2,6-dimethylaniline;4-[11-(4-amino-3,5-dimethylphenyl)indeno[1,2-b]quinoxalin-11-yl]-2,6-dimethylaniline;4-[9-(4-amino-3,5-dimethylphenyl)indeno[1,2-f][1]benzofuran-9-yl]-2,6-dimethylaniline;4-[9-(4-amino-3,5-dimethylphenyl)-1H-indeno[1,2-f]indol-9-yl]-2,6-dimethylaniline

4-[17-(4-amino-3,5-dimethylphenyl)-12-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-yl]-2,6-dimethylaniline;4-[17-(4-amino-3,5-dimethylphenyl)-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-yl]-2,6-dimethylaniline;4-[9-(4-amino-3,5-dimethylphenyl)indeno[1,2-b]pyrazin-9-yl]-2,6-dimethylaniline;4-[11-(4-amino-3,5-dimethylphenyl)indeno[1,2-b]quinoxalin-11-yl]-2,6-dimethylaniline;4-[9-(4-amino-3,5-dimethylphenyl)indeno[1,2-f][1]benzofuran-9-yl]-2,6-dimethylaniline;4-[9-(4-amino-3,5-dimethylphenyl)-1H-indeno[1,2-f]indol-9-yl]-2,6-dimethylaniline (PubChem CID 158400647) has the molecular formula C184H169N19O and a molecular weight of 2662.51 g/mol. Its IUPAC name is 4-[17-(4-amino-3,5-dimethylphenyl)-12-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-yl]-2,6-dimethylaniline;4-[17-(4-amino-3,5-dimethylphenyl)-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-yl]-2,6-dimethylaniline;4-[9-(4-amino-3,5-dimethylphenyl)indeno[1,2-b]pyrazin-9-yl]-2,6-dimethylaniline;4-[11-(4-amino-3,5-dimethylphenyl)indeno[1,2-b]quinoxalin-11-yl]-2,6-dimethylaniline;4-[9-(4-amino-3,5-dimethylphenyl)indeno[1,2-f][1]benzofuran-9-yl]-2,6-dimethylaniline;4-[9-(4-amino-3,5-dimethylphenyl)-1H-indeno[1,2-f]indol-9-yl]-2,6-dimethylaniline.

Molecular Properties

• Compound Name: 4-[17-(4-amino-3,5-dimethylphenyl)-12-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-yl]-2,6-dimethylaniline;4-[17-(4-amino-3,5-dimethylphenyl)-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-yl]-2,6-dimethylaniline;4-[9-(4-amino-3,5-dimethylphenyl)indeno[1,2-b]pyrazin-9-yl]-2,6-dimethylaniline;4-[11-(4-amino-3,5-dimethylphenyl)indeno[1,2-b]quinoxalin-11-yl]-2,6-dimethylaniline;4-[9-(4-amino-3,5-dimethylphenyl)indeno[1,2-f][1]benzofuran-9-yl]-2,6-dimethylaniline;4-[9-(4-amino-3,5-dimethylphenyl)-1H-indeno[1,2-f]indol-9-yl]-2,6-dimethylaniline
• PubChem CID: 158400647
• Molecular Formula: C184H169N19O
• Molecular Weight: 2662.51 g/mol
• Exact Mass: 2660.38
• IUPAC Name: 4-[17-(4-amino-3,5-dimethylphenyl)-12-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-yl]-2,6-dimethylaniline;4-[17-(4-amino-3,5-dimethylphenyl)-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-yl]-2,6-dimethylaniline;4-[9-(4-amino-3,5-dimethylphenyl)indeno[1,2-b]pyrazin-9-yl]-2,6-dimethylaniline;4-[11-(4-amino-3,5-dimethylphenyl)indeno[1,2-b]quinoxalin-11-yl]-2,6-dimethylaniline;4-[9-(4-amino-3,5-dimethylphenyl)indeno[1,2-f][1]benzofuran-9-yl]-2,6-dimethylaniline;4-[9-(4-amino-3,5-dimethylphenyl)-1H-indeno[1,2-f]indol-9-yl]-2,6-dimethylaniline
• SMILES: Cc1cc(C2(c3cc(C)c(N)c(C)c3)c3cc4ccccc4cc3-c3cccnc32)cc(C)c1N.Cc1cc(C2(c3cc(C)c(N)c(C)c3)c3cc4ccccc4cc3-c3ncccc32)cc(C)c1N.Cc1cc(C2(c3cc(C)c(N)c(C)c3)c3ccccc3-c3cc4cc[nH]c4cc32)cc(C)c1N.Cc1cc(C2(c3cc(C)c(N)c(C)c3)c3ccccc3-c3cc4ccoc4cc32)cc(C)c1N.Cc1cc(C2(c3cc(C)c(N)c(C)c3)c3ccccc3-c3nc4ccccc4nc32)cc(C)c1N.Cc1cc(C2(c3cc(C)c(N)c(C)c3)c3ccccc3-c3nccnc32)cc(C)c1N
• InChI: InChI=1S/2C32H29N3.C31H28N4.C31H29N3.C31H28N2O.C27H26N4/c1-18-12-24(13-19(2)29(18)33)32(25-14-20(3)30(34)21(4)15-25)27-10-7-11-35-31(27)26-16-22-8-5-6-9-23(22)17-28(26)32;1-18-12-24(13-19(2)29(18)33)32(25-14-20(3)30(34)21(4)15-25)28-17-23-9-6-5-8-22(23)16-27(28)26-10-7-11-35-31(26)32;1-17-13-21(14-18(2)27(17)32)31(22-15-19(3)28(33)20(4)16-22)24-10-6-5-9-23(24)29-30(31)35-26-12-8-7-11-25(26)34-29;2*1-17-11-22(12-18(2)29(17)32)31(23-13-19(3)30(33)20(4)14-23)26-8-6-5-7-24(26)25-15-21-9-10-34-28(21)16-27(25)31;1-15-11-19(12-16(2)23(15)28)27(20-13-17(3)24(29)18(4)14-20)22-8-6-5-7-21(22)25-26(27)31-10-9-30-25/h2*5-17H,33-34H2,1-4H3;5-16H,32-33H2,1-4H3;5-16,34H,32-33H2,1-4H3;5-16H,32-33H2,1-4H3;5-14H,28-29H2,1-4H3
• InChIKey: GYBGBQQBHLXFGD-UHFFFAOYSA-N
• XLogP: 39.74
• TPSA: 418.51 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 19
• Rotatable Bonds: 12
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2662.51
LogP ≤ 5	39.74
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[17-(4-amino-3,5-dimethylphenyl)-12-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-yl]-2,6-dimethylaniline;4-[17-(4-amino-3,5-dimethylphenyl)-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-yl]-2,6-dimethylaniline;4-[9-(4-amino-3,5-dimethylphenyl)indeno[1,2-b]pyrazin-9-yl]-2,6-dimethylaniline;4-[11-(4-amino-3,5-dimethylphenyl)indeno[1,2-b]quinoxalin-11-yl]-2,6-dimethylaniline;4-[9-(4-amino-3,5-dimethylphenyl)indeno[1,2-f][1]benzofuran-9-yl]-2,6-dimethylaniline;4-[9-(4-amino-3,5-dimethylphenyl)-1H-indeno[1,2-f]indol-9-yl]-2,6-dimethylaniline?

The IUPAC name of 4-[17-(4-amino-3,5-dimethylphenyl)-12-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-yl]-2,6-dimethylaniline;4-[17-(4-amino-3,5-dimethylphenyl)-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-yl]-2,6-dimethylaniline;4-[9-(4-amino-3,5-dimethylphenyl)indeno[1,2-b]pyrazin-9-yl]-2,6-dimethylaniline;4-[11-(4-amino-3,5-dimethylphenyl)indeno[1,2-b]quinoxalin-11-yl]-2,6-dimethylaniline;4-[9-(4-amino-3,5-dimethylphenyl)indeno[1,2-f][1]benzofuran-9-yl]-2,6-dimethylaniline;4-[9-(4-amino-3,5-dimethylphenyl)-1H-indeno[1,2-f]indol-9-yl]-2,6-dimethylaniline (CID 158400647) is 4-[17-(4-amino-3,5-dimethylphenyl)-12-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-yl]-2,6-dimethylaniline;4-[17-(4-amino-3,5-dimethylphenyl)-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-yl]-2,6-dimethylaniline;4-[9-(4-amino-3,5-dimethylphenyl)indeno[1,2-b]pyrazin-9-yl]-2,6-dimethylaniline;4-[11-(4-amino-3,5-dimethylphenyl)indeno[1,2-b]quinoxalin-11-yl]-2,6-dimethylaniline;4-[9-(4-amino-3,5-dimethylphenyl)indeno[1,2-f][1]benzofuran-9-yl]-2,6-dimethylaniline;4-[9-(4-amino-3,5-dimethylphenyl)-1H-indeno[1,2-f]indol-9-yl]-2,6-dimethylaniline.

What is the SMILES notation for 4-[17-(4-amino-3,5-dimethylphenyl)-12-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-yl]-2,6-dimethylaniline;4-[17-(4-amino-3,5-dimethylphenyl)-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-yl]-2,6-dimethylaniline;4-[9-(4-amino-3,5-dimethylphenyl)indeno[1,2-b]pyrazin-9-yl]-2,6-dimethylaniline;4-[11-(4-amino-3,5-dimethylphenyl)indeno[1,2-b]quinoxalin-11-yl]-2,6-dimethylaniline;4-[9-(4-amino-3,5-dimethylphenyl)indeno[1,2-f][1]benzofuran-9-yl]-2,6-dimethylaniline;4-[9-(4-amino-3,5-dimethylphenyl)-1H-indeno[1,2-f]indol-9-yl]-2,6-dimethylaniline?

The canonical SMILES for 4-[17-(4-amino-3,5-dimethylphenyl)-12-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-yl]-2,6-dimethylaniline;4-[17-(4-amino-3,5-dimethylphenyl)-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-yl]-2,6-dimethylaniline;4-[9-(4-amino-3,5-dimethylphenyl)indeno[1,2-b]pyrazin-9-yl]-2,6-dimethylaniline;4-[11-(4-amino-3,5-dimethylphenyl)indeno[1,2-b]quinoxalin-11-yl]-2,6-dimethylaniline;4-[9-(4-amino-3,5-dimethylphenyl)indeno[1,2-f][1]benzofuran-9-yl]-2,6-dimethylaniline;4-[9-(4-amino-3,5-dimethylphenyl)-1H-indeno[1,2-f]indol-9-yl]-2,6-dimethylaniline is Cc1cc(C2(c3cc(C)c(N)c(C)c3)c3cc4ccccc4cc3-c3cccnc32)cc(C)c1N.Cc1cc(C2(c3cc(C)c(N)c(C)c3)c3cc4ccccc4cc3-c3ncccc32)cc(C)c1N.Cc1cc(C2(c3cc(C)c(N)c(C)c3)c3ccccc3-c3cc4cc[nH]c4cc32)cc(C)c1N.Cc1cc(C2(c3cc(C)c(N)c(C)c3)c3ccccc3-c3cc4ccoc4cc32)cc(C)c1N.Cc1cc(C2(c3cc(C)c(N)c(C)c3)c3ccccc3-c3nc4ccccc4nc32)cc(C)c1N.Cc1cc(C2(c3cc(C)c(N)c(C)c3)c3ccccc3-c3nccnc32)cc(C)c1N.

What is the InChIKey of 4-[17-(4-amino-3,5-dimethylphenyl)-12-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-yl]-2,6-dimethylaniline;4-[17-(4-amino-3,5-dimethylphenyl)-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-yl]-2,6-dimethylaniline;4-[9-(4-amino-3,5-dimethylphenyl)indeno[1,2-b]pyrazin-9-yl]-2,6-dimethylaniline;4-[11-(4-amino-3,5-dimethylphenyl)indeno[1,2-b]quinoxalin-11-yl]-2,6-dimethylaniline;4-[9-(4-amino-3,5-dimethylphenyl)indeno[1,2-f][1]benzofuran-9-yl]-2,6-dimethylaniline;4-[9-(4-amino-3,5-dimethylphenyl)-1H-indeno[1,2-f]indol-9-yl]-2,6-dimethylaniline?

The InChIKey is GYBGBQQBHLXFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H29N3.C31H28N4.C31H29N3.C31H28N2O.C27H26N4/c1-18-12-24(13-19(2)29(18)33)32(25-14-20(3)30(34)21(4)15-25)27-10-7-11-35-31(27)26-16-22-8-5-6-9-23(22)17-28(26)32;1-18-12-24(13-19(2)29(18)33)32(25-14-20(3)30(34)21(4)15-25)28-17-23-9-6-5-8-22(23)16-27(28)26-10-7-11-35-31(26)32;1-17-13-21(14-18(2)27(17)32)31(22-15-19(3)28(33)20(4)16-22)24-10-6-5-9-23(24)29-30(31)35-26-12-8-7-11-25(26)34-29;2*1-17-11-22(12-18(2)29(17)32)31(23-13-19(3)30(33)20(4)14-23)26-8-6-5-7-24(26)25-15-21-9-10-34-28(21)16-27(25)31;1-15-11-19(12-16(2)23(15)28)27(20-13-17(3)24(29)18(4)14-20)22-8-6-5-7-21(22)25-26(27)31-10-9-30-25/h2*5-17H,33-34H2,1-4H3;5-16H,32-33H2,1-4H3;5-16,34H,32-33H2,1-4H3;5-16H,32-33H2,1-4H3;5-14H,28-29H2,1-4H3.

What are the key properties of 4-[17-(4-amino-3,5-dimethylphenyl)-12-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-yl]-2,6-dimethylaniline;4-[17-(4-amino-3,5-dimethylphenyl)-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-yl]-2,6-dimethylaniline;4-[9-(4-amino-3,5-dimethylphenyl)indeno[1,2-b]pyrazin-9-yl]-2,6-dimethylaniline;4-[11-(4-amino-3,5-dimethylphenyl)indeno[1,2-b]quinoxalin-11-yl]-2,6-dimethylaniline;4-[9-(4-amino-3,5-dimethylphenyl)indeno[1,2-f][1]benzofuran-9-yl]-2,6-dimethylaniline;4-[9-(4-amino-3,5-dimethylphenyl)-1H-indeno[1,2-f]indol-9-yl]-2,6-dimethylaniline?

4-[17-(4-amino-3,5-dimethylphenyl)-12-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-yl]-2,6-dimethylaniline;4-[17-(4-amino-3,5-dimethylphenyl)-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-yl]-2,6-dimethylaniline;4-[9-(4-amino-3,5-dimethylphenyl)indeno[1,2-b]pyrazin-9-yl]-2,6-dimethylaniline;4-[11-(4-amino-3,5-dimethylphenyl)indeno[1,2-b]quinoxalin-11-yl]-2,6-dimethylaniline;4-[9-(4-amino-3,5-dimethylphenyl)indeno[1,2-f][1]benzofuran-9-yl]-2,6-dimethylaniline;4-[9-(4-amino-3,5-dimethylphenyl)-1H-indeno[1,2-f]indol-9-yl]-2,6-dimethylaniline has a molecular weight of 2662.51 g/mol, XLogP of 39.74, 12 rotatable bonds, 13 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[17-(4-amino-3,5-dimethylphenyl)-12-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-yl]-2,6-dimethylaniline;4-[17-(4-amino-3,5-dimethylphenyl)-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-yl]-2,6-dimethylaniline;4-[9-(4-amino-3,5-dimethylphenyl)indeno[1,2-b]pyrazin-9-yl]-2,6-dimethylaniline;4-[11-(4-amino-3,5-dimethylphenyl)indeno[1,2-b]quinoxalin-11-yl]-2,6-dimethylaniline;4-[9-(4-amino-3,5-dimethylphenyl)indeno[1,2-f][1]benzofuran-9-yl]-2,6-dimethylaniline;4-[9-(4-amino-3,5-dimethylphenyl)-1H-indeno[1,2-f]indol-9-yl]-2,6-dimethylaniline is sourced from PubChem (CID 158400647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).