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

C37H24N4 — CID 130392921

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

8-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene (PubChem CID 130392921) has the molecular formula C37H24N4 and a molecular weight of 524.63 g/mol. Its IUPAC name is 8-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene.

Molecular Properties

• Compound Name: 8-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
• PubChem CID: 130392921
• Molecular Formula: C37H24N4
• Molecular Weight: 524.63 g/mol
• Exact Mass: 524.20
• IUPAC Name: 8-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
• SMILES: c1ccc(-c2cc(-c3ccc(-c4nc5c(nc6ccccn65)c5ccccc45)cc3)cc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C37H24N4/c1-3-11-26(12-4-1)32-23-29(24-33(38-32)27-13-5-2-6-14-27)25-18-20-28(21-19-25)35-30-15-7-8-16-31(30)36-37(40-35)41-22-10-9-17-34(41)39-36/h1-24H
• InChIKey: PVWGQGBYUUYYCL-UHFFFAOYSA-N
• XLogP: 9.10
• TPSA: 43.08 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.63
LogP ≤ 5	9.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 8-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene (CID 130392921) is 8-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,11,17-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 8-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?

The canonical SMILES for 8-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene is c1ccc(-c2cc(-c3ccc(-c4nc5c(nc6ccccn65)c5ccccc45)cc3)cc(-c3ccccc3)n2)cc1.

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

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

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

8-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene has a molecular weight of 524.63 g/mol, XLogP of 9.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene is sourced from PubChem (CID 130392921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).