5-naphthalen-2-yl-18-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene

C50H28N4O2 — CID 177086231

About 5-naphthalen-2-yl-18-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene

5-naphthalen-2-yl-18-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene (PubChem CID 177086231) has the molecular formula C50H28N4O2 and a molecular weight of 716.80 g/mol. Its IUPAC name is 5-naphthalen-2-yl-18-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene.

Molecular Properties

• Compound Name: 5-naphthalen-2-yl-18-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene
• PubChem CID: 177086231
• Molecular Formula: C50H28N4O2
• Molecular Weight: 716.80 g/mol
• Exact Mass: 716.22
• IUPAC Name: 5-naphthalen-2-yl-18-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene
• SMILES: c1ccc2cc(-c3nc(-c4ccc5ccc6oc7ccc8nc(-c9ccc%10ccccc%10c9)oc8c7c6c5c4)nc(-c4cccc5ccccc45)n3)ccc2c1
• InChI: InChI=1S/C50H28N4O2/c1-3-11-33-26-35(19-16-29(33)8-1)47-52-48(54-49(53-47)39-15-7-13-31-10-5-6-14-38(31)39)36-20-18-32-22-24-42-44(40(32)28-36)45-43(55-42)25-23-41-46(45)56-50(51-41)37-21-17-30-9-2-4-12-34(30)27-37/h1-28H
• InChIKey: BXSQBABSRODALU-UHFFFAOYSA-N
• XLogP: 13.19
• TPSA: 77.84 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	716.80
LogP ≤ 5	13.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-2-yl-18-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene?

The IUPAC name of 5-naphthalen-2-yl-18-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene (CID 177086231) is 5-naphthalen-2-yl-18-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene.

What is the SMILES notation for 5-naphthalen-2-yl-18-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene?

The canonical SMILES for 5-naphthalen-2-yl-18-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene is c1ccc2cc(-c3nc(-c4ccc5ccc6oc7ccc8nc(-c9ccc%10ccccc%10c9)oc8c7c6c5c4)nc(-c4cccc5ccccc45)n3)ccc2c1.

What is the InChIKey of 5-naphthalen-2-yl-18-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene?

The InChIKey is BXSQBABSRODALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H28N4O2/c1-3-11-33-26-35(19-16-29(33)8-1)47-52-48(54-49(53-47)39-15-7-13-31-10-5-6-14-38(31)39)36-20-18-32-22-24-42-44(40(32)28-36)45-43(55-42)25-23-41-46(45)56-50(51-41)37-21-17-30-9-2-4-12-34(30)27-37/h1-28H.

What are the key properties of 5-naphthalen-2-yl-18-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene?

5-naphthalen-2-yl-18-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene has a molecular weight of 716.80 g/mol, XLogP of 13.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-naphthalen-2-yl-18-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene is sourced from PubChem (CID 177086231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).