15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-oxa-5,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene

C36H21N5O — CID 122524064

About 15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-oxa-5,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene

15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-oxa-5,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene (PubChem CID 122524064) has the molecular formula C36H21N5O and a molecular weight of 539.60 g/mol. Its IUPAC name is 15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-oxa-5,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene.

Molecular Properties

• Compound Name: 15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-oxa-5,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene
• PubChem CID: 122524064
• Molecular Formula: C36H21N5O
• Molecular Weight: 539.60 g/mol
• Exact Mass: 539.17
• IUPAC Name: 15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-oxa-5,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(oc6ccc7ccncc7c65)c43)n2)cc1
• InChI: InChI=1S/C36H21N5O/c1-3-9-23(10-4-1)34-38-35(24-11-5-2-6-12-24)40-36(39-34)41-29-14-8-7-13-25(29)26-16-17-27-31-28-21-37-20-19-22(28)15-18-30(31)42-33(27)32(26)41/h1-21H
• InChIKey: NLNJWGJOQAXIEX-UHFFFAOYSA-N
• XLogP: 8.75
• TPSA: 69.63 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.60
LogP ≤ 5	8.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-oxa-5,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene?

The IUPAC name of 15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-oxa-5,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene (CID 122524064) is 15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-oxa-5,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene.

What is the SMILES notation for 15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-oxa-5,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene?

The canonical SMILES for 15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-oxa-5,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(oc6ccc7ccncc7c65)c43)n2)cc1.

What is the InChIKey of 15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-oxa-5,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene?

The InChIKey is NLNJWGJOQAXIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21N5O/c1-3-9-23(10-4-1)34-38-35(24-11-5-2-6-12-24)40-36(39-34)41-29-14-8-7-13-25(29)26-16-17-27-31-28-21-37-20-19-22(28)15-18-30(31)42-33(27)32(26)41/h1-21H.

What are the key properties of 15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-oxa-5,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene?

15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-oxa-5,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene has a molecular weight of 539.60 g/mol, XLogP of 8.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-oxa-5,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene is sourced from PubChem (CID 122524064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).