24-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,15-dioxa-24-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-thia-6-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene

C91H54N8O2S — CID 158714723

About 24-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,15-dioxa-24-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-thia-6-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene

24-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,15-dioxa-24-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-thia-6-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene (PubChem CID 158714723) has the molecular formula C91H54N8O2S and a molecular weight of 1323.55 g/mol. Its IUPAC name is 24-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,15-dioxa-24-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-thia-6-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene.

Molecular Properties

• Compound Name: 24-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,15-dioxa-24-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-thia-6-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
• PubChem CID: 158714723
• Molecular Formula: C91H54N8O2S
• Molecular Weight: 1323.55 g/mol
• Exact Mass: 1322.41
• IUPAC Name: 24-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,15-dioxa-24-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-thia-6-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c6oc7c(ccc8oc9ccccc9c87)c6ccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c6sc7c8c(ccc7c6ccc54)Cc4ccccc4-8)c3)n2)cc1
• InChI: InChI=1S/C46H28N4S.C45H26N4O2/c1-3-12-28(13-4-1)44-47-45(29-14-5-2-6-15-29)49-46(48-44)32-17-11-18-33(27-32)50-38-21-10-9-20-37(38)41-39(50)25-24-36-35-23-22-31-26-30-16-7-8-19-34(30)40(31)42(35)51-43(36)41;1-3-12-27(13-4-1)43-46-44(28-14-5-2-6-15-28)48-45(47-43)29-16-11-17-30(26-29)49-35-20-9-7-18-33(35)39-36(49)24-22-31-32-23-25-38-40(42(32)51-41(31)39)34-19-8-10-21-37(34)50-38/h1-25,27H,26H2;1-26H
• InChIKey: IJEBAQUULLTYCB-UHFFFAOYSA-N
• XLogP: 23.68
• TPSA: 113.48 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1323.55
LogP ≤ 5	23.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 24-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,15-dioxa-24-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-thia-6-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene?

The IUPAC name of 24-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,15-dioxa-24-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-thia-6-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene (CID 158714723) is 24-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,15-dioxa-24-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-thia-6-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene.

What is the SMILES notation for 24-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,15-dioxa-24-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-thia-6-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene?

The canonical SMILES for 24-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,15-dioxa-24-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-thia-6-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c6oc7c(ccc8oc9ccccc9c87)c6ccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c6sc7c8c(ccc7c6ccc54)Cc4ccccc4-8)c3)n2)cc1.

What is the InChIKey of 24-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,15-dioxa-24-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-thia-6-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene?

The InChIKey is IJEBAQUULLTYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4S.C45H26N4O2/c1-3-12-28(13-4-1)44-47-45(29-14-5-2-6-15-29)49-46(48-44)32-17-11-18-33(27-32)50-38-21-10-9-20-37(38)41-39(50)25-24-36-35-23-22-31-26-30-16-7-8-19-34(30)40(31)42(35)51-43(36)41;1-3-12-27(13-4-1)43-46-44(28-14-5-2-6-15-28)48-45(47-43)29-16-11-17-30(26-29)49-35-20-9-7-18-33(35)39-36(49)24-22-31-32-23-25-38-40(42(32)51-41(31)39)34-19-8-10-21-37(34)50-38/h1-25,27H,26H2;1-26H.

What are the key properties of 24-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,15-dioxa-24-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-thia-6-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene?

24-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,15-dioxa-24-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-thia-6-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene has a molecular weight of 1323.55 g/mol, XLogP of 23.68, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 24-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,15-dioxa-24-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-thia-6-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene is sourced from PubChem (CID 158714723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).