11-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.013,18]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene

C38H23N5O — CID 135169755

About 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.013,18]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene

11-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.013,18]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene (PubChem CID 135169755) has the molecular formula C38H23N5O and a molecular weight of 565.64 g/mol. Its IUPAC name is 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.013,18]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene.

Molecular Properties

• Compound Name: 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.013,18]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene
• PubChem CID: 135169755
• Molecular Formula: C38H23N5O
• Molecular Weight: 565.64 g/mol
• Exact Mass: 565.19
• IUPAC Name: 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.013,18]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-n3c4c5ccccc5ccc4c4ccc5nc(-c6ccccc6)oc5c43)n2)cc1
• InChI: InChI=1S/C38H23N5O/c1-4-13-25(14-5-1)35-40-36(26-15-6-2-7-16-26)42-38(41-35)43-32-28-19-11-10-12-24(28)20-21-29(32)30-22-23-31-34(33(30)43)44-37(39-31)27-17-8-3-9-18-27/h1-23H
• InChIKey: ZFLVCQFFYJUZGJ-UHFFFAOYSA-N
• XLogP: 9.26
• TPSA: 69.63 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.64
LogP ≤ 5	9.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.013,18]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene?

The IUPAC name of 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.013,18]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene (CID 135169755) is 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.013,18]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene.

What is the SMILES notation for 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.013,18]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene?

The canonical SMILES for 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.013,18]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4c5ccccc5ccc4c4ccc5nc(-c6ccccc6)oc5c43)n2)cc1.

What is the InChIKey of 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.013,18]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene?

The InChIKey is ZFLVCQFFYJUZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N5O/c1-4-13-25(14-5-1)35-40-36(26-15-6-2-7-16-26)42-38(41-35)43-32-28-19-11-10-12-24(28)20-21-29(32)30-22-23-31-34(33(30)43)44-37(39-31)27-17-8-3-9-18-27/h1-23H.

What are the key properties of 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.013,18]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene?

11-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.013,18]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene has a molecular weight of 565.64 g/mol, XLogP of 9.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.013,18]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene is sourced from PubChem (CID 135169755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).