24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-phenyl-24-oxa-3,12-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-oxa-12,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;3-phenyl-24-thia-3,12-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-thia-12,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene

C143H84N14O2S3 — CID 157210239

About 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-phenyl-24-oxa-3,12-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-oxa-12,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;3-phenyl-24-thia-3,12-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-thia-12,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene

24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-phenyl-24-oxa-3,12-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-oxa-12,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;3-phenyl-24-thia-3,12-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-thia-12,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene (PubChem CID 157210239) has the molecular formula C143H84N14O2S3 and a molecular weight of 2126.54 g/mol. Its IUPAC name is 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-phenyl-24-oxa-3,12-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-oxa-12,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;3-phenyl-24-thia-3,12-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-thia-12,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene.

Molecular Properties

• Compound Name: 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-phenyl-24-oxa-3,12-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-oxa-12,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;3-phenyl-24-thia-3,12-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-thia-12,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene
• PubChem CID: 157210239
• Molecular Formula: C143H84N14O2S3
• Molecular Weight: 2126.54 g/mol
• Exact Mass: 2124.61
• IUPAC Name: 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-phenyl-24-oxa-3,12-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-oxa-12,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;3-phenyl-24-thia-3,12-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-thia-12,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5nccnc5c5c6ccccc6sc5c43)n2)cc1.c1ccc(-n2c3ccccc3c3c4cccnc4c4c5ccccc5oc4c32)cc1.c1ccc(-n2c3ccccc3c3c4cccnc4c4c5ccccc5sc4c32)cc1.c1ccc(-n2c3ccccc3c3c4ncccc4c4c5ccccc5oc4c32)cc1.c1ccc(-n2c3ccccc3c3c4ncccc4c4c5ccccc5sc4c32)cc1
• InChI: InChI=1S/C35H20N6S.2C27H16N2O.2C27H16N2S/c1-3-11-21(12-4-1)33-38-34(22-13-5-2-6-14-22)40-35(39-33)41-25-17-9-7-15-23(25)27-29-30(37-20-19-36-29)28-24-16-8-10-18-26(24)42-32(28)31(27)41;1-2-9-17(10-3-1)29-21-14-6-4-11-18(21)24-25-20(13-8-16-28-25)23-19-12-5-7-15-22(19)30-27(23)26(24)29;1-2-9-17(10-3-1)29-21-14-6-4-11-18(21)23-20-13-8-16-28-25(20)24-19-12-5-7-15-22(19)30-27(24)26(23)29;1-2-9-17(10-3-1)29-21-14-6-4-11-18(21)24-25-20(13-8-16-28-25)23-19-12-5-7-15-22(19)30-27(23)26(24)29;1-2-9-17(10-3-1)29-21-14-6-4-11-18(21)23-20-13-8-16-28-25(20)24-19-12-5-7-15-22(19)30-27(24)26(23)29/h1-20H;4*1-16H
• InChIKey: ARUQATHYPAUPDN-UHFFFAOYSA-N
• XLogP: 38.48
• TPSA: 166.94 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 7
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2126.54
LogP ≤ 5	38.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-phenyl-24-oxa-3,12-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-oxa-12,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;3-phenyl-24-thia-3,12-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-thia-12,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene?

The IUPAC name of 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-phenyl-24-oxa-3,12-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-oxa-12,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;3-phenyl-24-thia-3,12-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-thia-12,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene (CID 157210239) is 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-phenyl-24-oxa-3,12-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-oxa-12,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;3-phenyl-24-thia-3,12-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-thia-12,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene.

What is the SMILES notation for 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-phenyl-24-oxa-3,12-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-oxa-12,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;3-phenyl-24-thia-3,12-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-thia-12,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene?

The canonical SMILES for 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-phenyl-24-oxa-3,12-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-oxa-12,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;3-phenyl-24-thia-3,12-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-thia-12,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5nccnc5c5c6ccccc6sc5c43)n2)cc1.c1ccc(-n2c3ccccc3c3c4cccnc4c4c5ccccc5oc4c32)cc1.c1ccc(-n2c3ccccc3c3c4cccnc4c4c5ccccc5sc4c32)cc1.c1ccc(-n2c3ccccc3c3c4ncccc4c4c5ccccc5oc4c32)cc1.c1ccc(-n2c3ccccc3c3c4ncccc4c4c5ccccc5sc4c32)cc1.

What is the InChIKey of 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-phenyl-24-oxa-3,12-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-oxa-12,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;3-phenyl-24-thia-3,12-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-thia-12,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene?

The InChIKey is ARUQATHYPAUPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H20N6S.2C27H16N2O.2C27H16N2S/c1-3-11-21(12-4-1)33-38-34(22-13-5-2-6-14-22)40-35(39-33)41-25-17-9-7-15-23(25)27-29-30(37-20-19-36-29)28-24-16-8-10-18-26(24)42-32(28)31(27)41;1-2-9-17(10-3-1)29-21-14-6-4-11-18(21)24-25-20(13-8-16-28-25)23-19-12-5-7-15-22(19)30-27(23)26(24)29;1-2-9-17(10-3-1)29-21-14-6-4-11-18(21)23-20-13-8-16-28-25(20)24-19-12-5-7-15-22(19)30-27(24)26(23)29;1-2-9-17(10-3-1)29-21-14-6-4-11-18(21)24-25-20(13-8-16-28-25)23-19-12-5-7-15-22(19)30-27(23)26(24)29;1-2-9-17(10-3-1)29-21-14-6-4-11-18(21)23-20-13-8-16-28-25(20)24-19-12-5-7-15-22(19)30-27(24)26(23)29/h1-20H;4*1-16H.

What are the key properties of 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-phenyl-24-oxa-3,12-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-oxa-12,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;3-phenyl-24-thia-3,12-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-thia-12,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene?

24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-phenyl-24-oxa-3,12-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-oxa-12,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;3-phenyl-24-thia-3,12-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-thia-12,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene has a molecular weight of 2126.54 g/mol, XLogP of 38.48, 7 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-phenyl-24-oxa-3,12-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-oxa-12,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;3-phenyl-24-thia-3,12-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-thia-12,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene is sourced from PubChem (CID 157210239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).