15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-thia-4,6,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-thia-4,7,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-thia-5,7,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene

C105H60N18S3 — CID 159349435

About 15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-thia-4,6,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-thia-4,7,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-thia-5,7,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene

15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-thia-4,6,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-thia-4,7,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-thia-5,7,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene (PubChem CID 159349435) has the molecular formula C105H60N18S3 and a molecular weight of 1669.96 g/mol. Its IUPAC name is 15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-thia-4,6,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-thia-4,7,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-thia-5,7,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene.

Molecular Properties

• Compound Name: 15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-thia-4,6,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-thia-4,7,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-thia-5,7,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
• PubChem CID: 159349435
• Molecular Formula: C105H60N18S3
• Molecular Weight: 1669.96 g/mol
• Exact Mass: 1668.44
• IUPAC Name: 15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-thia-4,6,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-thia-4,7,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-thia-5,7,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(sc6ccc7cncnc7c65)c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(sc6ccc7nccnc7c65)c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(sc6ccc7ncncc7c65)c43)n2)cc1
• InChI: InChI=1S/3C35H20N6S/c1-3-9-21(10-4-1)33-38-34(22-11-5-2-6-12-22)40-35(39-33)41-27-14-8-7-13-24(27)25-16-17-26-29-28(42-32(26)31(25)41)18-15-23-19-36-20-37-30(23)29;1-3-9-21(10-4-1)33-38-34(22-11-5-2-6-12-22)40-35(39-33)41-28-14-8-7-13-23(28)24-15-16-25-30-26-19-36-20-37-27(26)17-18-29(30)42-32(25)31(24)41;1-3-9-21(10-4-1)33-38-34(22-11-5-2-6-12-22)40-35(39-33)41-27-14-8-7-13-23(27)24-15-16-25-29-28(42-32(25)31(24)41)18-17-26-30(29)37-20-19-36-26/h3*1-20H
• InChIKey: LHDHVMBMRKRVAD-UHFFFAOYSA-N
• XLogP: 25.84
• TPSA: 208.14 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 9
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1669.96
LogP ≤ 5	25.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-thia-4,6,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-thia-4,7,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-thia-5,7,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene?

The IUPAC name of 15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-thia-4,6,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-thia-4,7,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-thia-5,7,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene (CID 159349435) is 15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-thia-4,6,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-thia-4,7,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-thia-5,7,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene.

What is the SMILES notation for 15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-thia-4,6,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-thia-4,7,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-thia-5,7,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene?

The canonical SMILES for 15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-thia-4,6,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-thia-4,7,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-thia-5,7,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(sc6ccc7cncnc7c65)c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(sc6ccc7nccnc7c65)c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(sc6ccc7ncncc7c65)c43)n2)cc1.

What is the InChIKey of 15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-thia-4,6,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-thia-4,7,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-thia-5,7,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene?

The InChIKey is LHDHVMBMRKRVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C35H20N6S/c1-3-9-21(10-4-1)33-38-34(22-11-5-2-6-12-22)40-35(39-33)41-27-14-8-7-13-24(27)25-16-17-26-29-28(42-32(26)31(25)41)18-15-23-19-36-20-37-30(23)29;1-3-9-21(10-4-1)33-38-34(22-11-5-2-6-12-22)40-35(39-33)41-28-14-8-7-13-23(28)24-15-16-25-30-26-19-36-20-37-27(26)17-18-29(30)42-32(25)31(24)41;1-3-9-21(10-4-1)33-38-34(22-11-5-2-6-12-22)40-35(39-33)41-27-14-8-7-13-23(27)24-15-16-25-29-28(42-32(25)31(24)41)18-17-26-30(29)37-20-19-36-26/h3*1-20H.

What are the key properties of 15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-thia-4,6,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-thia-4,7,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-thia-5,7,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene?

15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-thia-4,6,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-thia-4,7,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-thia-5,7,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene has a molecular weight of 1669.96 g/mol, XLogP of 25.84, 9 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-thia-4,6,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-thia-4,7,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-thia-5,7,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene is sourced from PubChem (CID 159349435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).