2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;2-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl)-4,6-diphenyl-1,3,5-triazine

C78H47N7OS2 — CID 161097020

About 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;2-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl)-4,6-diphenyl-1,3,5-triazine

2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;2-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 161097020) has the molecular formula C78H47N7OS2 and a molecular weight of 1162.42 g/mol. Its IUPAC name is 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;2-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;2-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl)-4,6-diphenyl-1,3,5-triazine
• PubChem CID: 161097020
• Molecular Formula: C78H47N7OS2
• Molecular Weight: 1162.42 g/mol
• Exact Mass: 1161.33
• IUPAC Name: 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;2-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl)-4,6-diphenyl-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)c4c6oc7ccccc7c6ccc4n5-c4ccccc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3sc3ccc5c6ccccc6sc5c34)n2)cc1
• InChI: InChI=1S/C45H28N4O.C33H19N3S2/c1-4-13-29(14-5-1)43-46-44(30-15-6-2-7-16-30)48-45(47-43)33-18-12-17-31(27-33)32-23-25-38-37(28-32)41-39(49(38)34-19-8-3-9-20-34)26-24-36-35-21-10-11-22-40(35)50-42(36)41;1-3-10-20(11-4-1)31-34-32(21-12-5-2-6-13-21)36-33(35-31)25-16-9-15-24-28-27(38-29(24)25)19-18-23-22-14-7-8-17-26(22)37-30(23)28/h1-28H;1-19H
• InChIKey: UHXSAWPVYVPZEM-UHFFFAOYSA-N
• XLogP: 21.14
• TPSA: 95.41 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1162.42
LogP ≤ 5	21.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;2-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl)-4,6-diphenyl-1,3,5-triazine?

The IUPAC name of 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;2-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl)-4,6-diphenyl-1,3,5-triazine (CID 161097020) is 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;2-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl)-4,6-diphenyl-1,3,5-triazine.

What is the SMILES notation for 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;2-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl)-4,6-diphenyl-1,3,5-triazine?

The canonical SMILES for 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;2-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl)-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)c4c6oc7ccccc7c6ccc4n5-c4ccccc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3sc3ccc5c6ccccc6sc5c34)n2)cc1.

What is the InChIKey of 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;2-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl)-4,6-diphenyl-1,3,5-triazine?

The InChIKey is UHXSAWPVYVPZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4O.C33H19N3S2/c1-4-13-29(14-5-1)43-46-44(30-15-6-2-7-16-30)48-45(47-43)33-18-12-17-31(27-33)32-23-25-38-37(28-32)41-39(49(38)34-19-8-3-9-20-34)26-24-36-35-21-10-11-22-40(35)50-42(36)41;1-3-10-20(11-4-1)31-34-32(21-12-5-2-6-13-21)36-33(35-31)25-16-9-15-24-28-27(38-29(24)25)19-18-23-22-14-7-8-17-26(22)37-30(23)28/h1-28H;1-19H.

What are the key properties of 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;2-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl)-4,6-diphenyl-1,3,5-triazine?

2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;2-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 1162.42 g/mol, XLogP of 21.14, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;2-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 161097020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).