9-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(2,6-dipyridin-3-yl-4-pyridinyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene

C150H96N20 — CID 159407230

About 9-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(2,6-dipyridin-3-yl-4-pyridinyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene

9-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(2,6-dipyridin-3-yl-4-pyridinyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene (PubChem CID 159407230) has the molecular formula C150H96N20 and a molecular weight of 2178.56 g/mol. Its IUPAC name is 9-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(2,6-dipyridin-3-yl-4-pyridinyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene.

Molecular Properties

• Compound Name: 9-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(2,6-dipyridin-3-yl-4-pyridinyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
• PubChem CID: 159407230
• Molecular Formula: C150H96N20
• Molecular Weight: 2178.56 g/mol
• Exact Mass: 2176.81
• IUPAC Name: 9-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(2,6-dipyridin-3-yl-4-pyridinyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
• SMILES: c1ccc(-c2cc(-c3ccc(-c4ccc(-c5nc6ccccc6c6nc7ccccn7c56)cc4)cc3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4nc5ccccc5c5nc6ccccn6c45)cc3)cc(-c3ccccc3)n2)cc1.c1ccc2c(c1)nc(-c1ccc(-c3cc(-c4ccncc4)nc(-c4ccncc4)c3)cc1)c1c2nc2ccccn21.c1cncc(-c2cc(-c3ccc(-c4nc5ccccc5c5nc6ccccn6c45)cc3)cc(-c3cccnc3)n2)c1
• InChI: InChI=1S/C43H28N4.C37H24N4.2C35H22N6/c1-3-11-32(12-4-1)38-27-35(28-39(44-38)33-13-5-2-6-14-33)31-20-18-29(19-21-31)30-22-24-34(25-23-30)41-43-42(36-15-7-8-16-37(36)45-41)46-40-17-9-10-26-47(40)43;1-3-11-26(12-4-1)32-23-29(24-33(38-32)27-13-5-2-6-14-27)25-18-20-28(21-19-25)35-37-36(30-15-7-8-16-31(30)39-35)40-34-17-9-10-22-41(34)37;1-2-10-29-28(9-1)34-35(41-18-4-3-11-32(41)40-34)33(39-29)24-14-12-23(13-15-24)27-19-30(25-7-5-16-36-21-25)38-31(20-27)26-8-6-17-37-22-26;1-2-6-29-28(5-1)34-35(41-20-4-3-7-32(41)40-34)33(39-29)26-10-8-23(9-11-26)27-21-30(24-12-16-36-17-13-24)38-31(22-27)25-14-18-37-19-15-25/h1-28H;1-24H;2*1-22H
• InChIKey: LOCOUIVFPOHMCS-UHFFFAOYSA-N
• XLogP: 35.64
• TPSA: 223.88 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 17
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2178.56
LogP ≤ 5	35.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(2,6-dipyridin-3-yl-4-pyridinyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?

The IUPAC name of 9-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(2,6-dipyridin-3-yl-4-pyridinyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene (CID 159407230) is 9-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(2,6-dipyridin-3-yl-4-pyridinyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene.

What is the SMILES notation for 9-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(2,6-dipyridin-3-yl-4-pyridinyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?

The canonical SMILES for 9-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(2,6-dipyridin-3-yl-4-pyridinyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene is c1ccc(-c2cc(-c3ccc(-c4ccc(-c5nc6ccccc6c6nc7ccccn7c56)cc4)cc3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4nc5ccccc5c5nc6ccccn6c45)cc3)cc(-c3ccccc3)n2)cc1.c1ccc2c(c1)nc(-c1ccc(-c3cc(-c4ccncc4)nc(-c4ccncc4)c3)cc1)c1c2nc2ccccn21.c1cncc(-c2cc(-c3ccc(-c4nc5ccccc5c5nc6ccccn6c45)cc3)cc(-c3cccnc3)n2)c1.

What is the InChIKey of 9-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(2,6-dipyridin-3-yl-4-pyridinyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?

The InChIKey is LOCOUIVFPOHMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N4.C37H24N4.2C35H22N6/c1-3-11-32(12-4-1)38-27-35(28-39(44-38)33-13-5-2-6-14-33)31-20-18-29(19-21-31)30-22-24-34(25-23-30)41-43-42(36-15-7-8-16-37(36)45-41)46-40-17-9-10-26-47(40)43;1-3-11-26(12-4-1)32-23-29(24-33(38-32)27-13-5-2-6-14-27)25-18-20-28(21-19-25)35-37-36(30-15-7-8-16-31(30)39-35)40-34-17-9-10-22-41(34)37;1-2-10-29-28(9-1)34-35(41-18-4-3-11-32(41)40-34)33(39-29)24-14-12-23(13-15-24)27-19-30(25-7-5-16-36-21-25)38-31(20-27)26-8-6-17-37-22-26;1-2-6-29-28(5-1)34-35(41-20-4-3-7-32(41)40-34)33(39-29)26-10-8-23(9-11-26)27-21-30(24-12-16-36-17-13-24)38-31(22-27)25-14-18-37-19-15-25/h1-28H;1-24H;2*1-22H.

What are the key properties of 9-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(2,6-dipyridin-3-yl-4-pyridinyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?

9-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(2,6-dipyridin-3-yl-4-pyridinyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene has a molecular weight of 2178.56 g/mol, XLogP of 35.64, 17 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(2,6-dipyridin-3-yl-4-pyridinyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene is sourced from PubChem (CID 159407230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).