2-ethenyl-4-(7-naphtho[1,2-b][1]benzothiol-3-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(8-naphtho[1,2-b][1]benzothiol-8-yldibenzothiophen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(8-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-(9-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

C184H108N12O4S4 — CID 163425895

About 2-ethenyl-4-(7-naphtho[1,2-b][1]benzothiol-3-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(8-naphtho[1,2-b][1]benzothiol-8-yldibenzothiophen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(8-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-(9-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

2-ethenyl-4-(7-naphtho[1,2-b][1]benzothiol-3-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(8-naphtho[1,2-b][1]benzothiol-8-yldibenzothiophen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(8-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-(9-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 163425895) has the molecular formula C184H108N12O4S4 and a molecular weight of 2679.24 g/mol. Its IUPAC name is 2-ethenyl-4-(7-naphtho[1,2-b][1]benzothiol-3-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(8-naphtho[1,2-b][1]benzothiol-8-yldibenzothiophen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(8-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-(9-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-ethenyl-4-(7-naphtho[1,2-b][1]benzothiol-3-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(8-naphtho[1,2-b][1]benzothiol-8-yldibenzothiophen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(8-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-(9-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
• PubChem CID: 163425895
• Molecular Formula: C184H108N12O4S4
• Molecular Weight: 2679.24 g/mol
• Exact Mass: 2676.75
• IUPAC Name: 2-ethenyl-4-(7-naphtho[1,2-b][1]benzothiol-3-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(8-naphtho[1,2-b][1]benzothiol-8-yldibenzothiophen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(8-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-(9-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
• SMILES: C=Cc1nc(-c2ccccc2)nc(-c2cccc3c2oc2cc(-c4ccc5c(ccc6c7ccccc7sc56)c4)ccc23)n1.c1ccc(-c2ccc(-c3nc(-c4ccc5sc6ccc(-c7ccc8sc9c%10ccccc%10ccc9c8c7)cc6c5c4)nc(-c4cccc5ccccc45)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4cccc(-c6cc7c8ccccc8sc7c7ccccc67)c45)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccc(-c5ccc6c(c5)oc5c7ccccc7ccc65)cc34)n2)cc1
• InChI: InChI=1S/C53H31N3S2.C49H29N3OS.C43H25N3O2.C39H23N3OS/c1-2-9-32(10-3-1)33-17-19-36(20-18-33)51-54-52(56-53(55-51)43-16-8-13-34-11-4-6-14-40(34)43)39-24-28-48-46(31-39)45-30-38(22-26-47(45)57-48)37-23-27-49-44(29-37)42-25-21-35-12-5-7-15-41(35)50(42)58-49;1-3-12-30(13-4-1)31-22-24-33(25-23-31)48-50-47(32-14-5-2-6-15-32)51-49(52-48)34-26-27-39-43(28-34)53-42-20-11-19-37(45(39)42)40-29-41-36-17-9-10-21-44(36)54-46(41)38-18-8-7-16-35(38)40;1-3-10-27(11-4-1)41-44-42(28-12-5-2-6-13-28)46-43(45-41)31-17-20-34-36-23-29(18-22-37(36)47-38(34)25-31)30-16-19-33-35-21-15-26-9-7-8-14-32(26)40(35)48-39(33)24-30;1-2-35-40-38(23-9-4-3-5-10-23)42-39(41-35)32-13-8-12-30-28-19-16-25(22-33(28)43-36(30)32)24-15-18-27-26(21-24)17-20-31-29-11-6-7-14-34(29)44-37(27)31/h1-31H;1-29H;1-25H;2-22H,1H2
• InChIKey: AMMZRNZSNMPNQJ-UHFFFAOYSA-N
• XLogP: 51.30
• TPSA: 207.24 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 18
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2679.24
LogP ≤ 5	51.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4-(7-naphtho[1,2-b][1]benzothiol-3-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(8-naphtho[1,2-b][1]benzothiol-8-yldibenzothiophen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(8-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-(9-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?

The IUPAC name of 2-ethenyl-4-(7-naphtho[1,2-b][1]benzothiol-3-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(8-naphtho[1,2-b][1]benzothiol-8-yldibenzothiophen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(8-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-(9-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (CID 163425895) is 2-ethenyl-4-(7-naphtho[1,2-b][1]benzothiol-3-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(8-naphtho[1,2-b][1]benzothiol-8-yldibenzothiophen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(8-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-(9-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.

What is the SMILES notation for 2-ethenyl-4-(7-naphtho[1,2-b][1]benzothiol-3-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(8-naphtho[1,2-b][1]benzothiol-8-yldibenzothiophen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(8-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-(9-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?

The canonical SMILES for 2-ethenyl-4-(7-naphtho[1,2-b][1]benzothiol-3-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(8-naphtho[1,2-b][1]benzothiol-8-yldibenzothiophen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(8-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-(9-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is C=Cc1nc(-c2ccccc2)nc(-c2cccc3c2oc2cc(-c4ccc5c(ccc6c7ccccc7sc56)c4)ccc23)n1.c1ccc(-c2ccc(-c3nc(-c4ccc5sc6ccc(-c7ccc8sc9c%10ccccc%10ccc9c8c7)cc6c5c4)nc(-c4cccc5ccccc45)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4cccc(-c6cc7c8ccccc8sc7c7ccccc67)c45)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccc(-c5ccc6c(c5)oc5c7ccccc7ccc65)cc34)n2)cc1.

What is the InChIKey of 2-ethenyl-4-(7-naphtho[1,2-b][1]benzothiol-3-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(8-naphtho[1,2-b][1]benzothiol-8-yldibenzothiophen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(8-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-(9-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?

The InChIKey is AMMZRNZSNMPNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H31N3S2.C49H29N3OS.C43H25N3O2.C39H23N3OS/c1-2-9-32(10-3-1)33-17-19-36(20-18-33)51-54-52(56-53(55-51)43-16-8-13-34-11-4-6-14-40(34)43)39-24-28-48-46(31-39)45-30-38(22-26-47(45)57-48)37-23-27-49-44(29-37)42-25-21-35-12-5-7-15-41(35)50(42)58-49;1-3-12-30(13-4-1)31-22-24-33(25-23-31)48-50-47(32-14-5-2-6-15-32)51-49(52-48)34-26-27-39-43(28-34)53-42-20-11-19-37(45(39)42)40-29-41-36-17-9-10-21-44(36)54-46(41)38-18-8-7-16-35(38)40;1-3-10-27(11-4-1)41-44-42(28-12-5-2-6-13-28)46-43(45-41)31-17-20-34-36-23-29(18-22-37(36)47-38(34)25-31)30-16-19-33-35-21-15-26-9-7-8-14-32(26)40(35)48-39(33)24-30;1-2-35-40-38(23-9-4-3-5-10-23)42-39(41-35)32-13-8-12-30-28-19-16-25(22-33(28)43-36(30)32)24-15-18-27-26(21-24)17-20-31-29-11-6-7-14-34(29)44-37(27)31/h1-31H;1-29H;1-25H;2-22H,1H2.

What are the key properties of 2-ethenyl-4-(7-naphtho[1,2-b][1]benzothiol-3-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(8-naphtho[1,2-b][1]benzothiol-8-yldibenzothiophen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(8-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-(9-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?

2-ethenyl-4-(7-naphtho[1,2-b][1]benzothiol-3-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(8-naphtho[1,2-b][1]benzothiol-8-yldibenzothiophen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(8-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-(9-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 2679.24 g/mol, XLogP of 51.30, 18 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethenyl-4-(7-naphtho[1,2-b][1]benzothiol-3-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(8-naphtho[1,2-b][1]benzothiol-8-yldibenzothiophen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(8-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-(9-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 163425895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).