9-phenyl-4-pyridin-3-yl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene

C25H16N4 — CID 129088914

About 9-phenyl-4-pyridin-3-yl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene

9-phenyl-4-pyridin-3-yl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene (PubChem CID 129088914) has the molecular formula C25H16N4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 9-phenyl-4-pyridin-3-yl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene.

Molecular Properties

• Compound Name: 9-phenyl-4-pyridin-3-yl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene
• PubChem CID: 129088914
• Molecular Formula: C25H16N4
• Molecular Weight: 372.43 g/mol
• Exact Mass: 372.14
• IUPAC Name: 9-phenyl-4-pyridin-3-yl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene
• SMILES: c1ccc(-c2nc3ccc(-c4cccnc4)cc3c3nc4ccccn4c23)cc1
• InChI: InChI=1S/C25H16N4/c1-2-7-17(8-3-1)23-25-24(28-22-10-4-5-14-29(22)25)20-15-18(11-12-21(20)27-23)19-9-6-13-26-16-19/h1-16H
• InChIKey: IDIYYPANCALPLO-UHFFFAOYSA-N
• XLogP: 5.76
• TPSA: 43.08 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	372.43
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-4-pyridin-3-yl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene?

The IUPAC name of 9-phenyl-4-pyridin-3-yl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene (CID 129088914) is 9-phenyl-4-pyridin-3-yl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene.

What is the SMILES notation for 9-phenyl-4-pyridin-3-yl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene?

The canonical SMILES for 9-phenyl-4-pyridin-3-yl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene is c1ccc(-c2nc3ccc(-c4cccnc4)cc3c3nc4ccccn4c23)cc1.

What is the InChIKey of 9-phenyl-4-pyridin-3-yl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene?

The InChIKey is IDIYYPANCALPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N4/c1-2-7-17(8-3-1)23-25-24(28-22-10-4-5-14-29(22)25)20-15-18(11-12-21(20)27-23)19-9-6-13-26-16-19/h1-16H.

What are the key properties of 9-phenyl-4-pyridin-3-yl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene?

9-phenyl-4-pyridin-3-yl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene has a molecular weight of 372.43 g/mol, XLogP of 5.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-phenyl-4-pyridin-3-yl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene is sourced from PubChem (CID 129088914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).