5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-12-amine

C43H28N4O — CID 170183055

About 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-12-amine

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-12-amine (PubChem CID 170183055) has the molecular formula C43H28N4O and a molecular weight of 616.72 g/mol. Its IUPAC name is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-12-amine.

Molecular Properties

• Compound Name: 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-12-amine
• PubChem CID: 170183055
• Molecular Formula: C43H28N4O
• Molecular Weight: 616.72 g/mol
• Exact Mass: 616.23
• IUPAC Name: 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-12-amine
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)Oc3ccc(N(c5ccccc5)c5ccccc5)c5cccc-4c35)n2)cc1
• InChI: InChI=1S/C43H28N4O/c1-5-14-29(15-6-1)41-44-42(30-16-7-2-8-17-30)46-43(45-41)31-24-25-34-35-22-13-23-36-37(26-27-38(40(35)36)48-39(34)28-31)47(32-18-9-3-10-19-32)33-20-11-4-12-21-33/h1-28H
• InChIKey: AZMPTYMFMDUXMO-UHFFFAOYSA-N
• XLogP: 11.27
• TPSA: 51.14 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	616.72
LogP ≤ 5	11.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-12-amine?

The IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-12-amine (CID 170183055) is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-12-amine.

What is the SMILES notation for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-12-amine?

The canonical SMILES for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-12-amine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)Oc3ccc(N(c5ccccc5)c5ccccc5)c5cccc-4c35)n2)cc1.

What is the InChIKey of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-12-amine?

The InChIKey is AZMPTYMFMDUXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N4O/c1-5-14-29(15-6-1)41-44-42(30-16-7-2-8-17-30)46-43(45-41)31-24-25-34-35-22-13-23-36-37(26-27-38(40(35)36)48-39(34)28-31)47(32-18-9-3-10-19-32)33-20-11-4-12-21-33/h1-28H.

What are the key properties of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-12-amine?

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-12-amine has a molecular weight of 616.72 g/mol, XLogP of 11.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-12-amine is sourced from PubChem (CID 170183055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).