2-naphthalen-1-yl-4-(8-naphtho[2,3-b][1]benzothiol-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(8-naphtho[2,3-b][1]benzothiol-1-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(2-naphtho[2,3-b][1]benzothiol-2-ylnaphtho[3,2-b][1]benzothiol-11-yl)-6-phenyl-1,3,5-triazine

C145H83N9OS5 — CID 160894116

About 2-naphthalen-1-yl-4-(8-naphtho[2,3-b][1]benzothiol-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(8-naphtho[2,3-b][1]benzothiol-1-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(2-naphtho[2,3-b][1]benzothiol-2-ylnaphtho[3,2-b][1]benzothiol-11-yl)-6-phenyl-1,3,5-triazine

2-naphthalen-1-yl-4-(8-naphtho[2,3-b][1]benzothiol-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(8-naphtho[2,3-b][1]benzothiol-1-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(2-naphtho[2,3-b][1]benzothiol-2-ylnaphtho[3,2-b][1]benzothiol-11-yl)-6-phenyl-1,3,5-triazine (PubChem CID 160894116) has the molecular formula C145H83N9OS5 and a molecular weight of 2127.66 g/mol. Its IUPAC name is 2-naphthalen-1-yl-4-(8-naphtho[2,3-b][1]benzothiol-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(8-naphtho[2,3-b][1]benzothiol-1-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(2-naphtho[2,3-b][1]benzothiol-2-ylnaphtho[3,2-b][1]benzothiol-11-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-naphthalen-1-yl-4-(8-naphtho[2,3-b][1]benzothiol-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(8-naphtho[2,3-b][1]benzothiol-1-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(2-naphtho[2,3-b][1]benzothiol-2-ylnaphtho[3,2-b][1]benzothiol-11-yl)-6-phenyl-1,3,5-triazine
• PubChem CID: 160894116
• Molecular Formula: C145H83N9OS5
• Molecular Weight: 2127.66 g/mol
• Exact Mass: 2125.53
• IUPAC Name: 2-naphthalen-1-yl-4-(8-naphtho[2,3-b][1]benzothiol-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(8-naphtho[2,3-b][1]benzothiol-1-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(2-naphtho[2,3-b][1]benzothiol-2-ylnaphtho[3,2-b][1]benzothiol-11-yl)-6-phenyl-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3c4ccccc4cc4sc5ccc(-c6ccc7sc8cc9ccccc9cc8c7c6)cc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4oc5ccc(-c6ccc7sc8cc9ccccc9cc8c7c6)cc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4sc5ccc(-c6cccc7sc8cc9ccccc9cc8c67)cc5c34)n2)cc1
• InChI: InChI=1S/C51H29N3S2.C47H27N3OS.C47H27N3S2/c1-2-12-31(13-3-1)49-52-50(39-20-10-17-30-11-6-8-18-37(30)39)54-51(53-49)48-38-19-9-7-16-36(38)29-46-47(48)42-27-35(22-24-44(42)56-46)34-21-23-43-40(26-34)41-25-32-14-4-5-15-33(32)28-45(41)55-43;1-2-11-29(12-3-1)45-48-46(35-17-8-15-28-10-6-7-16-34(28)35)50-47(49-45)36-18-9-19-41-44(36)39-26-32(20-22-40(39)51-41)33-21-23-42-37(25-33)38-24-30-13-4-5-14-31(30)27-43(38)52-42;1-2-12-29(13-3-1)45-48-46(35-19-8-16-28-11-6-7-17-33(28)35)50-47(49-45)36-20-10-22-41-44(36)37-26-32(23-24-39(37)51-41)34-18-9-21-40-43(34)38-25-30-14-4-5-15-31(30)27-42(38)52-40/h1-29H;2*1-27H
• InChIKey: SOQKJEHDGBQKFC-UHFFFAOYSA-N
• XLogP: 41.43
• TPSA: 129.15 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2127.66
LogP ≤ 5	41.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-4-(8-naphtho[2,3-b][1]benzothiol-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(8-naphtho[2,3-b][1]benzothiol-1-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(2-naphtho[2,3-b][1]benzothiol-2-ylnaphtho[3,2-b][1]benzothiol-11-yl)-6-phenyl-1,3,5-triazine?

The IUPAC name of 2-naphthalen-1-yl-4-(8-naphtho[2,3-b][1]benzothiol-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(8-naphtho[2,3-b][1]benzothiol-1-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(2-naphtho[2,3-b][1]benzothiol-2-ylnaphtho[3,2-b][1]benzothiol-11-yl)-6-phenyl-1,3,5-triazine (CID 160894116) is 2-naphthalen-1-yl-4-(8-naphtho[2,3-b][1]benzothiol-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(8-naphtho[2,3-b][1]benzothiol-1-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(2-naphtho[2,3-b][1]benzothiol-2-ylnaphtho[3,2-b][1]benzothiol-11-yl)-6-phenyl-1,3,5-triazine.

What is the SMILES notation for 2-naphthalen-1-yl-4-(8-naphtho[2,3-b][1]benzothiol-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(8-naphtho[2,3-b][1]benzothiol-1-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(2-naphtho[2,3-b][1]benzothiol-2-ylnaphtho[3,2-b][1]benzothiol-11-yl)-6-phenyl-1,3,5-triazine?

The canonical SMILES for 2-naphthalen-1-yl-4-(8-naphtho[2,3-b][1]benzothiol-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(8-naphtho[2,3-b][1]benzothiol-1-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(2-naphtho[2,3-b][1]benzothiol-2-ylnaphtho[3,2-b][1]benzothiol-11-yl)-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3c4ccccc4cc4sc5ccc(-c6ccc7sc8cc9ccccc9cc8c7c6)cc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4oc5ccc(-c6ccc7sc8cc9ccccc9cc8c7c6)cc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4sc5ccc(-c6cccc7sc8cc9ccccc9cc8c67)cc5c34)n2)cc1.

What is the InChIKey of 2-naphthalen-1-yl-4-(8-naphtho[2,3-b][1]benzothiol-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(8-naphtho[2,3-b][1]benzothiol-1-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(2-naphtho[2,3-b][1]benzothiol-2-ylnaphtho[3,2-b][1]benzothiol-11-yl)-6-phenyl-1,3,5-triazine?

The InChIKey is SOQKJEHDGBQKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H29N3S2.C47H27N3OS.C47H27N3S2/c1-2-12-31(13-3-1)49-52-50(39-20-10-17-30-11-6-8-18-37(30)39)54-51(53-49)48-38-19-9-7-16-36(38)29-46-47(48)42-27-35(22-24-44(42)56-46)34-21-23-43-40(26-34)41-25-32-14-4-5-15-33(32)28-45(41)55-43;1-2-11-29(12-3-1)45-48-46(35-17-8-15-28-10-6-7-16-34(28)35)50-47(49-45)36-18-9-19-41-44(36)39-26-32(20-22-40(39)51-41)33-21-23-42-37(25-33)38-24-30-13-4-5-14-31(30)27-43(38)52-42;1-2-12-29(13-3-1)45-48-46(35-19-8-16-28-11-6-7-17-33(28)35)50-47(49-45)36-20-10-22-41-44(36)37-26-32(23-24-39(37)51-41)34-18-9-21-40-43(34)38-25-30-14-4-5-15-31(30)27-42(38)52-40/h1-29H;2*1-27H.

What are the key properties of 2-naphthalen-1-yl-4-(8-naphtho[2,3-b][1]benzothiol-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(8-naphtho[2,3-b][1]benzothiol-1-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(2-naphtho[2,3-b][1]benzothiol-2-ylnaphtho[3,2-b][1]benzothiol-11-yl)-6-phenyl-1,3,5-triazine?

2-naphthalen-1-yl-4-(8-naphtho[2,3-b][1]benzothiol-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(8-naphtho[2,3-b][1]benzothiol-1-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(2-naphtho[2,3-b][1]benzothiol-2-ylnaphtho[3,2-b][1]benzothiol-11-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 2127.66 g/mol, XLogP of 41.43, 12 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-naphthalen-1-yl-4-(8-naphtho[2,3-b][1]benzothiol-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(8-naphtho[2,3-b][1]benzothiol-1-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(2-naphtho[2,3-b][1]benzothiol-2-ylnaphtho[3,2-b][1]benzothiol-11-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 160894116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).