2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;9-[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]carbazole

C102H62N8OS2 — CID 158185166

About 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;9-[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]carbazole

2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;9-[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]carbazole (PubChem CID 158185166) has the molecular formula C102H62N8OS2 and a molecular weight of 1479.81 g/mol. Its IUPAC name is 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;9-[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;9-[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]carbazole
• PubChem CID: 158185166
• Molecular Formula: C102H62N8OS2
• Molecular Weight: 1479.81 g/mol
• Exact Mass: 1478.45
• IUPAC Name: 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;9-[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5c(c4)c4c6oc7ccccc7c6ccc4n5-c4ccccc4)cc4c3sc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5ccccc5-n5c6ccccc6c6ccccc65)cc5c4sc4ccccc45)c3)n2)cc1
• InChI: InChI=1S/C51H30N4OS.C51H32N4S/c1-4-14-31(15-5-1)49-52-50(32-16-6-2-7-17-32)54-51(53-49)41-30-34(29-39-37-21-11-13-23-45(37)57-48(39)41)33-24-26-42-40(28-33)46-43(55(42)35-18-8-3-9-19-35)27-25-38-36-20-10-12-22-44(36)56-47(38)46;1-3-16-33(17-4-1)49-52-50(34-18-5-2-6-19-34)54-51(53-49)36-21-15-20-35(30-36)42-31-37(32-43-41-25-10-14-29-47(41)56-48(42)43)38-22-7-11-26-44(38)55-45-27-12-8-23-39(45)40-24-9-13-28-46(40)55/h1-30H;1-32H
• InChIKey: FZBDUQOPQRZCHS-UHFFFAOYSA-N
• XLogP: 27.58
• TPSA: 100.34 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1479.81
LogP ≤ 5	27.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;9-[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]carbazole?

The IUPAC name of 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;9-[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]carbazole (CID 158185166) is 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;9-[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]carbazole.

What is the SMILES notation for 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;9-[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]carbazole?

The canonical SMILES for 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;9-[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5c(c4)c4c6oc7ccccc7c6ccc4n5-c4ccccc4)cc4c3sc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5ccccc5-n5c6ccccc6c6ccccc65)cc5c4sc4ccccc45)c3)n2)cc1.

What is the InChIKey of 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;9-[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]carbazole?

The InChIKey is FZBDUQOPQRZCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4OS.C51H32N4S/c1-4-14-31(15-5-1)49-52-50(32-16-6-2-7-17-32)54-51(53-49)41-30-34(29-39-37-21-11-13-23-45(37)57-48(39)41)33-24-26-42-40(28-33)46-43(55(42)35-18-8-3-9-19-35)27-25-38-36-20-10-12-22-44(36)56-47(38)46;1-3-16-33(17-4-1)49-52-50(34-18-5-2-6-19-34)54-51(53-49)36-21-15-20-35(30-36)42-31-37(32-43-41-25-10-14-29-47(41)56-48(42)43)38-22-7-11-26-44(38)55-45-27-12-8-23-39(45)40-24-9-13-28-46(40)55/h1-30H;1-32H.

What are the key properties of 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;9-[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]carbazole?

2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;9-[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]carbazole has a molecular weight of 1479.81 g/mol, XLogP of 27.58, 11 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;9-[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]carbazole is sourced from PubChem (CID 158185166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).