14-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-4,5,9,14-tetrazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene

C37H23N7 — CID 139524748

About 14-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-4,5,9,14-tetrazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene

14-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-4,5,9,14-tetrazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene (PubChem CID 139524748) has the molecular formula C37H23N7 and a molecular weight of 565.64 g/mol. Its IUPAC name is 14-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-4,5,9,14-tetrazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene.

Molecular Properties

• Compound Name: 14-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-4,5,9,14-tetrazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
• PubChem CID: 139524748
• Molecular Formula: C37H23N7
• Molecular Weight: 565.64 g/mol
• Exact Mass: 565.20
• IUPAC Name: 14-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-4,5,9,14-tetrazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5c6nnccc6n(-c6ccccc6)c5ccc43)n2)cc1
• InChI: InChI=1S/C37H23N7/c1-4-12-24(13-5-1)35-39-36(25-14-6-2-7-15-25)41-37(40-35)44-28-19-11-10-18-27(28)32-29(44)20-21-30-33(32)34-31(22-23-38-42-34)43(30)26-16-8-3-9-17-26/h1-23H
• InChIKey: LDAHXZHIJIAPQL-UHFFFAOYSA-N
• XLogP: 8.19
• TPSA: 74.31 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.64
LogP ≤ 5	8.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 14-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-4,5,9,14-tetrazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?

The IUPAC name of 14-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-4,5,9,14-tetrazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene (CID 139524748) is 14-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-4,5,9,14-tetrazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene.

What is the SMILES notation for 14-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-4,5,9,14-tetrazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?

The canonical SMILES for 14-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-4,5,9,14-tetrazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5c6nnccc6n(-c6ccccc6)c5ccc43)n2)cc1.

What is the InChIKey of 14-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-4,5,9,14-tetrazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?

The InChIKey is LDAHXZHIJIAPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N7/c1-4-12-24(13-5-1)35-39-36(25-14-6-2-7-15-25)41-37(40-35)44-28-19-11-10-18-27(28)32-29(44)20-21-30-33(32)34-31(22-23-38-42-34)43(30)26-16-8-3-9-17-26/h1-23H.

What are the key properties of 14-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-4,5,9,14-tetrazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?

14-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-4,5,9,14-tetrazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene has a molecular weight of 565.64 g/mol, XLogP of 8.19, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 14-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-4,5,9,14-tetrazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene is sourced from PubChem (CID 139524748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).