17-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-4,14-dioxa-6-azapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15(20),16,18-nonaene

C38H22N4O2 — CID 176647114

About 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-4,14-dioxa-6-azapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15(20),16,18-nonaene

17-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-4,14-dioxa-6-azapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15(20),16,18-nonaene (PubChem CID 176647114) has the molecular formula C38H22N4O2 and a molecular weight of 566.62 g/mol. Its IUPAC name is 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-4,14-dioxa-6-azapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15(20),16,18-nonaene.

Molecular Properties

• Compound Name: 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-4,14-dioxa-6-azapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15(20),16,18-nonaene
• PubChem CID: 176647114
• Molecular Formula: C38H22N4O2
• Molecular Weight: 566.62 g/mol
• Exact Mass: 566.17
• IUPAC Name: 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-4,14-dioxa-6-azapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15(20),16,18-nonaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccc5ccc6nc(-c7ccccc7)oc6c5c34)n2)cc1
• InChI: InChI=1S/C38H22N4O2/c1-4-10-24(11-5-1)35-40-36(25-12-6-2-7-13-25)42-37(41-35)27-16-19-28-31(22-27)43-30-21-18-23-17-20-29-34(32(23)33(28)30)44-38(39-29)26-14-8-3-9-15-26/h1-22H
• InChIKey: RAOMAEJNFCHITG-UHFFFAOYSA-N
• XLogP: 9.73
• TPSA: 77.84 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.62
LogP ≤ 5	9.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-4,14-dioxa-6-azapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15(20),16,18-nonaene?

The IUPAC name of 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-4,14-dioxa-6-azapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15(20),16,18-nonaene (CID 176647114) is 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-4,14-dioxa-6-azapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15(20),16,18-nonaene.

What is the SMILES notation for 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-4,14-dioxa-6-azapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15(20),16,18-nonaene?

The canonical SMILES for 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-4,14-dioxa-6-azapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15(20),16,18-nonaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccc5ccc6nc(-c7ccccc7)oc6c5c34)n2)cc1.

What is the InChIKey of 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-4,14-dioxa-6-azapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15(20),16,18-nonaene?

The InChIKey is RAOMAEJNFCHITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N4O2/c1-4-10-24(11-5-1)35-40-36(25-12-6-2-7-13-25)42-37(41-35)27-16-19-28-31(22-27)43-30-21-18-23-17-20-29-34(32(23)33(28)30)44-38(39-29)26-14-8-3-9-15-26/h1-22H.

What are the key properties of 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-4,14-dioxa-6-azapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15(20),16,18-nonaene?

17-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-4,14-dioxa-6-azapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15(20),16,18-nonaene has a molecular weight of 566.62 g/mol, XLogP of 9.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-4,14-dioxa-6-azapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15(20),16,18-nonaene is sourced from PubChem (CID 176647114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).