23-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,18-diphenyl-3-oxa-17,19,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19-diphenyl-3-oxa-17,19,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),17,21-decaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-20,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;24-(4-phenylpyrimidin-2-yl)-3-oxa-17,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene

C158H94N22O4 — CID 157243916

About 23-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,18-diphenyl-3-oxa-17,19,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19-diphenyl-3-oxa-17,19,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),17,21-decaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-20,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;24-(4-phenylpyrimidin-2-yl)-3-oxa-17,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene

23-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,18-diphenyl-3-oxa-17,19,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19-diphenyl-3-oxa-17,19,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),17,21-decaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-20,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;24-(4-phenylpyrimidin-2-yl)-3-oxa-17,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene (PubChem CID 157243916) has the molecular formula C158H94N22O4 and a molecular weight of 2364.64 g/mol. Its IUPAC name is 23-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,18-diphenyl-3-oxa-17,19,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19-diphenyl-3-oxa-17,19,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),17,21-decaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-20,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;24-(4-phenylpyrimidin-2-yl)-3-oxa-17,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene.

Molecular Properties

• Compound Name: 23-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,18-diphenyl-3-oxa-17,19,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19-diphenyl-3-oxa-17,19,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),17,21-decaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-20,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;24-(4-phenylpyrimidin-2-yl)-3-oxa-17,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
• PubChem CID: 157243916
• Molecular Formula: C158H94N22O4
• Molecular Weight: 2364.64 g/mol
• Exact Mass: 2362.78
• IUPAC Name: 23-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,18-diphenyl-3-oxa-17,19,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19-diphenyl-3-oxa-17,19,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),17,21-decaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-20,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;24-(4-phenylpyrimidin-2-yl)-3-oxa-17,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
• SMILES: c1ccc(-c2ccnc(-n3c4cc5nccnc5cc4c4ccc5c6ccccc6oc5c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4cc5c(cc4c4ccc6c7ccccc7oc6c43)nc(-c3ccccc3)n5-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4cc5nc(-c6ccccc6)n(-c6ccccc6)c5cc4c4ccc5c6ccccc6oc5c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4cc5ncccc5cc4c4ccc5c6ccccc6oc5c43)n2)cc1
• InChI: InChI=1S/2C46H28N6O.C36H21N5O.C30H17N5O/c1-5-15-29(16-6-1)43-48-44(30-17-7-2-8-18-30)50-46(49-43)52-38-28-37-39(51(32-21-11-4-12-22-32)45(47-37)31-19-9-3-10-20-31)27-36(38)34-25-26-35-33-23-13-14-24-40(33)53-42(35)41(34)52;1-5-15-29(16-6-1)43-48-44(30-17-7-2-8-18-30)50-46(49-43)52-38-28-39-37(47-45(31-19-9-3-10-20-31)51(39)32-21-11-4-12-22-32)27-36(38)34-25-26-35-33-23-13-14-24-40(33)53-42(35)41(34)52;1-3-10-22(11-4-1)34-38-35(23-12-5-2-6-13-23)40-36(39-34)41-30-21-29-24(14-9-19-37-29)20-28(30)26-17-18-27-25-15-7-8-16-31(25)42-33(27)32(26)41;1-2-6-18(7-3-1)23-12-13-33-30(34-23)35-26-17-25-24(31-14-15-32-25)16-22(26)20-10-11-21-19-8-4-5-9-27(19)36-29(21)28(20)35/h2*1-28H;1-21H;1-17H
• InChIKey: AVNLJEALXYETQK-UHFFFAOYSA-N
• XLogP: 38.25
• TPSA: 288.38 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 15
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2364.64
LogP ≤ 5	38.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 23-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,18-diphenyl-3-oxa-17,19,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19-diphenyl-3-oxa-17,19,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),17,21-decaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-20,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;24-(4-phenylpyrimidin-2-yl)-3-oxa-17,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene?

The IUPAC name of 23-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,18-diphenyl-3-oxa-17,19,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19-diphenyl-3-oxa-17,19,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),17,21-decaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-20,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;24-(4-phenylpyrimidin-2-yl)-3-oxa-17,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene (CID 157243916) is 23-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,18-diphenyl-3-oxa-17,19,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19-diphenyl-3-oxa-17,19,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),17,21-decaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-20,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;24-(4-phenylpyrimidin-2-yl)-3-oxa-17,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene.

What is the SMILES notation for 23-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,18-diphenyl-3-oxa-17,19,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19-diphenyl-3-oxa-17,19,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),17,21-decaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-20,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;24-(4-phenylpyrimidin-2-yl)-3-oxa-17,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene?

The canonical SMILES for 23-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,18-diphenyl-3-oxa-17,19,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19-diphenyl-3-oxa-17,19,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),17,21-decaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-20,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;24-(4-phenylpyrimidin-2-yl)-3-oxa-17,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene is c1ccc(-c2ccnc(-n3c4cc5nccnc5cc4c4ccc5c6ccccc6oc5c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4cc5c(cc4c4ccc6c7ccccc7oc6c43)nc(-c3ccccc3)n5-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4cc5nc(-c6ccccc6)n(-c6ccccc6)c5cc4c4ccc5c6ccccc6oc5c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4cc5ncccc5cc4c4ccc5c6ccccc6oc5c43)n2)cc1.

What is the InChIKey of 23-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,18-diphenyl-3-oxa-17,19,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19-diphenyl-3-oxa-17,19,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),17,21-decaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-20,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;24-(4-phenylpyrimidin-2-yl)-3-oxa-17,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene?

The InChIKey is AVNLJEALXYETQK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C46H28N6O.C36H21N5O.C30H17N5O/c1-5-15-29(16-6-1)43-48-44(30-17-7-2-8-18-30)50-46(49-43)52-38-28-37-39(51(32-21-11-4-12-22-32)45(47-37)31-19-9-3-10-20-31)27-36(38)34-25-26-35-33-23-13-14-24-40(33)53-42(35)41(34)52;1-5-15-29(16-6-1)43-48-44(30-17-7-2-8-18-30)50-46(49-43)52-38-28-39-37(47-45(31-19-9-3-10-20-31)51(39)32-21-11-4-12-22-32)27-36(38)34-25-26-35-33-23-13-14-24-40(33)53-42(35)41(34)52;1-3-10-22(11-4-1)34-38-35(23-12-5-2-6-13-23)40-36(39-34)41-30-21-29-24(14-9-19-37-29)20-28(30)26-17-18-27-25-15-7-8-16-31(25)42-33(27)32(26)41;1-2-6-18(7-3-1)23-12-13-33-30(34-23)35-26-17-25-24(31-14-15-32-25)16-22(26)20-10-11-21-19-8-4-5-9-27(19)36-29(21)28(20)35/h2*1-28H;1-21H;1-17H.

What are the key properties of 23-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,18-diphenyl-3-oxa-17,19,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19-diphenyl-3-oxa-17,19,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),17,21-decaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-20,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;24-(4-phenylpyrimidin-2-yl)-3-oxa-17,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene?

23-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,18-diphenyl-3-oxa-17,19,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19-diphenyl-3-oxa-17,19,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),17,21-decaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-20,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;24-(4-phenylpyrimidin-2-yl)-3-oxa-17,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene has a molecular weight of 2364.64 g/mol, XLogP of 38.25, 15 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 23-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,18-diphenyl-3-oxa-17,19,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19-diphenyl-3-oxa-17,19,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),17,21-decaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-20,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;24-(4-phenylpyrimidin-2-yl)-3-oxa-17,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene is sourced from PubChem (CID 157243916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).