13-acridin-9-yl-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;13-(10-dibenzofuran-2-ylanthracen-9-yl)-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;13-(10-dibenzofuran-4-ylanthracen-9-yl)-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-phenyl-13-(10-quinolin-2-ylanthracen-9-yl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;3-[10-(9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-13-yl)anthracen-9-yl]benzonitrile

C209H124N18O2 — CID 160819823

About 13-acridin-9-yl-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;13-(10-dibenzofuran-2-ylanthracen-9-yl)-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;13-(10-dibenzofuran-4-ylanthracen-9-yl)-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-phenyl-13-(10-quinolin-2-ylanthracen-9-yl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;3-[10-(9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-13-yl)anthracen-9-yl]benzonitrile

13-acridin-9-yl-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;13-(10-dibenzofuran-2-ylanthracen-9-yl)-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;13-(10-dibenzofuran-4-ylanthracen-9-yl)-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-phenyl-13-(10-quinolin-2-ylanthracen-9-yl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;3-[10-(9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-13-yl)anthracen-9-yl]benzonitrile (PubChem CID 160819823) has the molecular formula C209H124N18O2 and a molecular weight of 2919.41 g/mol. Its IUPAC name is 13-acridin-9-yl-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;13-(10-dibenzofuran-2-ylanthracen-9-yl)-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;13-(10-dibenzofuran-4-ylanthracen-9-yl)-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-phenyl-13-(10-quinolin-2-ylanthracen-9-yl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;3-[10-(9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-13-yl)anthracen-9-yl]benzonitrile.

Molecular Properties

• Compound Name: 13-acridin-9-yl-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;13-(10-dibenzofuran-2-ylanthracen-9-yl)-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;13-(10-dibenzofuran-4-ylanthracen-9-yl)-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-phenyl-13-(10-quinolin-2-ylanthracen-9-yl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;3-[10-(9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-13-yl)anthracen-9-yl]benzonitrile
• PubChem CID: 160819823
• Molecular Formula: C209H124N18O2
• Molecular Weight: 2919.41 g/mol
• Exact Mass: 2917.02
• IUPAC Name: 13-acridin-9-yl-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;13-(10-dibenzofuran-2-ylanthracen-9-yl)-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;13-(10-dibenzofuran-4-ylanthracen-9-yl)-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-phenyl-13-(10-quinolin-2-ylanthracen-9-yl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;3-[10-(9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-13-yl)anthracen-9-yl]benzonitrile
• SMILES: N#Cc1cccc(-c2c3ccccc3c(-c3ccc4nc5c6ccccc6nc(-c6ccccc6)c5n4c3)c3ccccc23)c1.c1ccc(-c2nc3ccccc3c3nc4ccc(-c5c6ccccc6c(-c6ccc7ccccc7n6)c6ccccc56)cn4c23)cc1.c1ccc(-c2nc3ccccc3c3nc4ccc(-c5c6ccccc6c(-c6ccc7oc8ccccc8c7c6)c6ccccc56)cn4c23)cc1.c1ccc(-c2nc3ccccc3c3nc4ccc(-c5c6ccccc6c(-c6cccc7c6oc6ccccc67)c6ccccc56)cn4c23)cc1.c1ccc(-c2nc3ccccc3c3nc4ccc(-c5c6ccccc6nc6ccccc56)cn4c23)cc1
• InChI: InChI=1S/2C46H27N3O.C43H26N4.C41H24N4.C33H20N4/c1-2-13-28(14-3-1)43-45-44(36-20-8-10-23-38(36)47-43)48-40-26-25-29(27-49(40)45)41-31-16-4-6-18-33(31)42(34-19-7-5-17-32(34)41)37-22-12-21-35-30-15-9-11-24-39(30)50-46(35)37;1-2-12-28(13-3-1)44-46-45(36-19-8-10-20-38(36)47-44)48-41-25-23-30(27-49(41)46)43-34-17-6-4-15-32(34)42(33-16-5-7-18-35(33)43)29-22-24-40-37(26-29)31-14-9-11-21-39(31)50-40;1-2-13-28(14-3-1)41-43-42(34-19-9-11-21-36(34)45-41)46-38-25-23-29(26-47(38)43)39-30-15-5-7-17-32(30)40(33-18-8-6-16-31(33)39)37-24-22-27-12-4-10-20-35(27)44-37;42-24-26-11-10-14-28(23-26)37-30-15-4-6-17-32(30)38(33-18-7-5-16-31(33)37)29-21-22-36-44-40-34-19-8-9-20-35(34)43-39(41(40)45(36)25-29)27-12-2-1-3-13-27;1-2-10-21(11-3-1)31-33-32(25-14-6-9-17-28(25)35-31)36-29-19-18-22(20-37(29)33)30-23-12-4-7-15-26(23)34-27-16-8-5-13-24(27)30/h2*1-27H;1-26H;1-23,25H;1-20H
• InChIKey: SFJUCIFIWDFODI-UHFFFAOYSA-N
• XLogP: 53.66
• TPSA: 226.80 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 14
• Heavy Atoms: 229
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2919.41
LogP ≤ 5	53.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 13-acridin-9-yl-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;13-(10-dibenzofuran-2-ylanthracen-9-yl)-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;13-(10-dibenzofuran-4-ylanthracen-9-yl)-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-phenyl-13-(10-quinolin-2-ylanthracen-9-yl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;3-[10-(9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-13-yl)anthracen-9-yl]benzonitrile?

The IUPAC name of 13-acridin-9-yl-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;13-(10-dibenzofuran-2-ylanthracen-9-yl)-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;13-(10-dibenzofuran-4-ylanthracen-9-yl)-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-phenyl-13-(10-quinolin-2-ylanthracen-9-yl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;3-[10-(9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-13-yl)anthracen-9-yl]benzonitrile (CID 160819823) is 13-acridin-9-yl-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;13-(10-dibenzofuran-2-ylanthracen-9-yl)-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;13-(10-dibenzofuran-4-ylanthracen-9-yl)-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-phenyl-13-(10-quinolin-2-ylanthracen-9-yl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;3-[10-(9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-13-yl)anthracen-9-yl]benzonitrile.

What is the SMILES notation for 13-acridin-9-yl-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;13-(10-dibenzofuran-2-ylanthracen-9-yl)-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;13-(10-dibenzofuran-4-ylanthracen-9-yl)-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-phenyl-13-(10-quinolin-2-ylanthracen-9-yl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;3-[10-(9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-13-yl)anthracen-9-yl]benzonitrile?

The canonical SMILES for 13-acridin-9-yl-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;13-(10-dibenzofuran-2-ylanthracen-9-yl)-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;13-(10-dibenzofuran-4-ylanthracen-9-yl)-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-phenyl-13-(10-quinolin-2-ylanthracen-9-yl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;3-[10-(9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-13-yl)anthracen-9-yl]benzonitrile is N#Cc1cccc(-c2c3ccccc3c(-c3ccc4nc5c6ccccc6nc(-c6ccccc6)c5n4c3)c3ccccc23)c1.c1ccc(-c2nc3ccccc3c3nc4ccc(-c5c6ccccc6c(-c6ccc7ccccc7n6)c6ccccc56)cn4c23)cc1.c1ccc(-c2nc3ccccc3c3nc4ccc(-c5c6ccccc6c(-c6ccc7oc8ccccc8c7c6)c6ccccc56)cn4c23)cc1.c1ccc(-c2nc3ccccc3c3nc4ccc(-c5c6ccccc6c(-c6cccc7c6oc6ccccc67)c6ccccc56)cn4c23)cc1.c1ccc(-c2nc3ccccc3c3nc4ccc(-c5c6ccccc6nc6ccccc56)cn4c23)cc1.

What is the InChIKey of 13-acridin-9-yl-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;13-(10-dibenzofuran-2-ylanthracen-9-yl)-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;13-(10-dibenzofuran-4-ylanthracen-9-yl)-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-phenyl-13-(10-quinolin-2-ylanthracen-9-yl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;3-[10-(9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-13-yl)anthracen-9-yl]benzonitrile?

The InChIKey is SFJUCIFIWDFODI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C46H27N3O.C43H26N4.C41H24N4.C33H20N4/c1-2-13-28(14-3-1)43-45-44(36-20-8-10-23-38(36)47-43)48-40-26-25-29(27-49(40)45)41-31-16-4-6-18-33(31)42(34-19-7-5-17-32(34)41)37-22-12-21-35-30-15-9-11-24-39(30)50-46(35)37;1-2-12-28(13-3-1)44-46-45(36-19-8-10-20-38(36)47-44)48-41-25-23-30(27-49(41)46)43-34-17-6-4-15-32(34)42(33-16-5-7-18-35(33)43)29-22-24-40-37(26-29)31-14-9-11-21-39(31)50-40;1-2-13-28(14-3-1)41-43-42(34-19-9-11-21-36(34)45-41)46-38-25-23-29(26-47(38)43)39-30-15-5-7-17-32(30)40(33-18-8-6-16-31(33)39)37-24-22-27-12-4-10-20-35(27)44-37;42-24-26-11-10-14-28(23-26)37-30-15-4-6-17-32(30)38(33-18-7-5-16-31(33)37)29-21-22-36-44-40-34-19-8-9-20-35(34)43-39(41(40)45(36)25-29)27-12-2-1-3-13-27;1-2-10-21(11-3-1)31-33-32(25-14-6-9-17-28(25)35-31)36-29-19-18-22(20-37(29)33)30-23-12-4-7-15-26(23)34-27-16-8-5-13-24(27)30/h2*1-27H;1-26H;1-23,25H;1-20H.

What are the key properties of 13-acridin-9-yl-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;13-(10-dibenzofuran-2-ylanthracen-9-yl)-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;13-(10-dibenzofuran-4-ylanthracen-9-yl)-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-phenyl-13-(10-quinolin-2-ylanthracen-9-yl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;3-[10-(9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-13-yl)anthracen-9-yl]benzonitrile?

13-acridin-9-yl-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;13-(10-dibenzofuran-2-ylanthracen-9-yl)-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;13-(10-dibenzofuran-4-ylanthracen-9-yl)-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-phenyl-13-(10-quinolin-2-ylanthracen-9-yl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;3-[10-(9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-13-yl)anthracen-9-yl]benzonitrile has a molecular weight of 2919.41 g/mol, XLogP of 53.66, 14 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 13-acridin-9-yl-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;13-(10-dibenzofuran-2-ylanthracen-9-yl)-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;13-(10-dibenzofuran-4-ylanthracen-9-yl)-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-phenyl-13-(10-quinolin-2-ylanthracen-9-yl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;3-[10-(9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-13-yl)anthracen-9-yl]benzonitrile is sourced from PubChem (CID 160819823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).