16-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(3,5-dipyridin-3-ylphenyl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene

C140H92N20 — CID 159133127

About 16-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(3,5-dipyridin-3-ylphenyl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene

16-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(3,5-dipyridin-3-ylphenyl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene (PubChem CID 159133127) has the molecular formula C140H92N20 and a molecular weight of 2054.42 g/mol. Its IUPAC name is 16-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(3,5-dipyridin-3-ylphenyl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene.

Molecular Properties

• Compound Name: 16-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(3,5-dipyridin-3-ylphenyl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene
• PubChem CID: 159133127
• Molecular Formula: C140H92N20
• Molecular Weight: 2054.42 g/mol
• Exact Mass: 2052.78
• IUPAC Name: 16-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(3,5-dipyridin-3-ylphenyl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene
• SMILES: c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5nc6ccccn6c54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5nc6ccccn6c54)c3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5nc6ccccn6c54)cc3)n2)cc1.c1cncc(-c2cc(-c3ccc(-n4c5ccccc5c5nc6ccccn6c54)cc3)cc(-c3cccnc3)c2)c1
• InChI: InChI=1S/C36H24N4.2C35H23N5.C34H22N6/c1-3-12-25(13-4-1)28-23-31(26-14-5-2-6-15-26)37-32(24-28)27-16-11-17-29(22-27)40-33-19-8-7-18-30(33)35-36(40)39-21-10-9-20-34(39)38-35;1-3-11-24(12-4-1)29-23-30(37-34(36-29)26-13-5-2-6-14-26)25-18-20-27(21-19-25)40-31-16-8-7-15-28(31)33-35(40)39-22-10-9-17-32(39)38-33;1-2-10-32-31(9-1)34-35(39-18-4-3-11-33(39)38-34)40(32)30-14-12-24(13-15-30)27-19-28(25-7-5-16-36-22-25)21-29(20-27)26-8-6-17-37-23-26;1-3-11-23(12-4-1)31-36-32(24-13-5-2-6-14-24)38-33(37-31)25-18-20-26(21-19-25)40-28-16-8-7-15-27(28)30-34(40)39-22-10-9-17-29(39)35-30/h1-24H;2*1-23H;1-22H
• InChIKey: KHDKLAUCCIUUKL-UHFFFAOYSA-N
• XLogP: 32.89
• TPSA: 192.04 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2054.42
LogP ≤ 5	32.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 16-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(3,5-dipyridin-3-ylphenyl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene?

The IUPAC name of 16-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(3,5-dipyridin-3-ylphenyl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene (CID 159133127) is 16-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(3,5-dipyridin-3-ylphenyl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene.

What is the SMILES notation for 16-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(3,5-dipyridin-3-ylphenyl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene?

The canonical SMILES for 16-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(3,5-dipyridin-3-ylphenyl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene is c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5nc6ccccn6c54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5nc6ccccn6c54)c3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5nc6ccccn6c54)cc3)n2)cc1.c1cncc(-c2cc(-c3ccc(-n4c5ccccc5c5nc6ccccn6c54)cc3)cc(-c3cccnc3)c2)c1.

What is the InChIKey of 16-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(3,5-dipyridin-3-ylphenyl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene?

The InChIKey is KHDKLAUCCIUUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N4.2C35H23N5.C34H22N6/c1-3-12-25(13-4-1)28-23-31(26-14-5-2-6-15-26)37-32(24-28)27-16-11-17-29(22-27)40-33-19-8-7-18-30(33)35-36(40)39-21-10-9-20-34(39)38-35;1-3-11-24(12-4-1)29-23-30(37-34(36-29)26-13-5-2-6-14-26)25-18-20-27(21-19-25)40-31-16-8-7-15-28(31)33-35(40)39-22-10-9-17-32(39)38-33;1-2-10-32-31(9-1)34-35(39-18-4-3-11-33(39)38-34)40(32)30-14-12-24(13-15-30)27-19-28(25-7-5-16-36-22-25)21-29(20-27)26-8-6-17-37-23-26;1-3-11-23(12-4-1)31-36-32(24-13-5-2-6-14-24)38-33(37-31)25-18-20-26(21-19-25)40-28-16-8-7-15-27(28)30-34(40)39-22-10-9-17-29(39)35-30/h1-24H;2*1-23H;1-22H.

What are the key properties of 16-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(3,5-dipyridin-3-ylphenyl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene?

16-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(3,5-dipyridin-3-ylphenyl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene has a molecular weight of 2054.42 g/mol, XLogP of 32.89, 16 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 16-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(3,5-dipyridin-3-ylphenyl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene is sourced from PubChem (CID 159133127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).