bis(24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene);24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-20,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-21,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene

C146H86N18S4 — CID 159845550

About bis(24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene);24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-20,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-21,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene

bis(24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene);24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-20,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-21,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene (PubChem CID 159845550) has the molecular formula C146H86N18S4 and a molecular weight of 2220.69 g/mol. Its IUPAC name is bis(24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene);24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-20,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-21,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene.

Molecular Properties

• Compound Name: bis(24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene);24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-20,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-21,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene
• PubChem CID: 159845550
• Molecular Formula: C146H86N18S4
• Molecular Weight: 2220.69 g/mol
• Exact Mass: 2218.62
• IUPAC Name: bis(24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene);24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-20,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-21,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-n3c4c(ccc5cccnc54)c4ccc5c6ccccc6sc5c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4c5ccccc5ccc4c4ccc5c6ccccc6sc5c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4c5ccccc5ccc4c4ccc5c6ccccc6sc5c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4c5cnccc5ccc4c4ccc5c6ccccc6sc5c43)n2)cc1
• InChI: InChI=1S/2C37H22N4S.2C36H21N5S/c2*1-3-12-24(13-4-1)35-38-36(25-14-5-2-6-15-25)40-37(39-35)41-32-26-16-8-7-11-23(26)19-20-28(32)29-21-22-30-27-17-9-10-18-31(27)42-34(30)33(29)41;1-3-10-23(11-4-1)34-38-35(24-12-5-2-6-13-24)40-36(39-34)41-31-26(18-17-22-14-9-21-37-30(22)31)27-19-20-28-25-15-7-8-16-29(25)42-33(28)32(27)41;1-3-9-23(10-4-1)34-38-35(24-11-5-2-6-12-24)40-36(39-34)41-31-26(16-15-22-19-20-37-21-29(22)31)27-17-18-28-25-13-7-8-14-30(25)42-33(28)32(27)41/h2*1-22H;2*1-21H
• InChIKey: NPGCWRSYTHCJQJ-UHFFFAOYSA-N
• XLogP: 38.09
• TPSA: 200.18 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 12
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2220.69
LogP ≤ 5	38.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of bis(24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene);24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-20,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-21,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene?

The IUPAC name of bis(24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene);24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-20,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-21,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene (CID 159845550) is bis(24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene);24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-20,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-21,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene.

What is the SMILES notation for bis(24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene);24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-20,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-21,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene?

The canonical SMILES for bis(24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene);24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-20,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-21,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4c(ccc5cccnc54)c4ccc5c6ccccc6sc5c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4c5ccccc5ccc4c4ccc5c6ccccc6sc5c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4c5ccccc5ccc4c4ccc5c6ccccc6sc5c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4c5cnccc5ccc4c4ccc5c6ccccc6sc5c43)n2)cc1.

What is the InChIKey of bis(24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene);24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-20,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-21,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene?

The InChIKey is NPGCWRSYTHCJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C37H22N4S.2C36H21N5S/c2*1-3-12-24(13-4-1)35-38-36(25-14-5-2-6-15-25)40-37(39-35)41-32-26-16-8-7-11-23(26)19-20-28(32)29-21-22-30-27-17-9-10-18-31(27)42-34(30)33(29)41;1-3-10-23(11-4-1)34-38-35(24-12-5-2-6-13-24)40-36(39-34)41-31-26(18-17-22-14-9-21-37-30(22)31)27-19-20-28-25-15-7-8-16-29(25)42-33(28)32(27)41;1-3-9-23(10-4-1)34-38-35(24-11-5-2-6-12-24)40-36(39-34)41-31-26(16-15-22-19-20-37-21-29(22)31)27-17-18-28-25-13-7-8-14-30(25)42-33(28)32(27)41/h2*1-22H;2*1-21H.

What are the key properties of bis(24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene);24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-20,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-21,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene?

bis(24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene);24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-20,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-21,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene has a molecular weight of 2220.69 g/mol, XLogP of 38.09, 12 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for bis(24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene);24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-20,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-21,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene is sourced from PubChem (CID 159845550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).