2-naphthalen-1-yl-4-(1-naphtho[2,3-b][1]benzothiol-2-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(4-naphtho[2,3-b][1]benzothiol-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(5-naphtho[2,3-b][1]benzothiol-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-(3-naphthalen-1-yl-5-phenylphenyl)-4-(7-naphtho[3,2-b][1]benzothiol-11-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine

C192H116N12S4 — CID 158800578

About 2-naphthalen-1-yl-4-(1-naphtho[2,3-b][1]benzothiol-2-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(4-naphtho[2,3-b][1]benzothiol-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(5-naphtho[2,3-b][1]benzothiol-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-(3-naphthalen-1-yl-5-phenylphenyl)-4-(7-naphtho[3,2-b][1]benzothiol-11-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine

2-naphthalen-1-yl-4-(1-naphtho[2,3-b][1]benzothiol-2-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(4-naphtho[2,3-b][1]benzothiol-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(5-naphtho[2,3-b][1]benzothiol-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-(3-naphthalen-1-yl-5-phenylphenyl)-4-(7-naphtho[3,2-b][1]benzothiol-11-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine (PubChem CID 158800578) has the molecular formula C192H116N12S4 and a molecular weight of 2719.39 g/mol. Its IUPAC name is 2-naphthalen-1-yl-4-(1-naphtho[2,3-b][1]benzothiol-2-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(4-naphtho[2,3-b][1]benzothiol-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(5-naphtho[2,3-b][1]benzothiol-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-(3-naphthalen-1-yl-5-phenylphenyl)-4-(7-naphtho[3,2-b][1]benzothiol-11-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-naphthalen-1-yl-4-(1-naphtho[2,3-b][1]benzothiol-2-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(4-naphtho[2,3-b][1]benzothiol-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(5-naphtho[2,3-b][1]benzothiol-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-(3-naphthalen-1-yl-5-phenylphenyl)-4-(7-naphtho[3,2-b][1]benzothiol-11-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
• PubChem CID: 158800578
• Molecular Formula: C192H116N12S4
• Molecular Weight: 2719.39 g/mol
• Exact Mass: 2716.83
• IUPAC Name: 2-naphthalen-1-yl-4-(1-naphtho[2,3-b][1]benzothiol-2-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(4-naphtho[2,3-b][1]benzothiol-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(5-naphtho[2,3-b][1]benzothiol-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-(3-naphthalen-1-yl-5-phenylphenyl)-4-(7-naphtho[3,2-b][1]benzothiol-11-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
• SMILES: c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4cccc5ccc(-c6c7ccccc7cc7sc8ccccc8c67)cc45)n3)cc(-c3cccc4ccccc34)c2)cc1.c1ccc(-c2nc(-c3ccc4ccccc4c3-c3ccc4sc5cc6ccccc6cc5c4c3)nc(-c3cccc4ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3ccc(-c4ccc5sc6cc7ccccc7cc6c5c4)c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4c(-c5ccc6sc7cc8ccccc8cc7c6c5)cccc34)n2)cc1
• InChI: InChI=1S/C57H35N3S.3C45H27N3S/c1-3-15-36(16-4-1)42-31-43(46-26-13-21-37-17-7-9-23-45(37)46)33-44(32-42)56-58-55(39-18-5-2-6-19-39)59-57(60-56)48-27-14-22-38-29-30-41(34-50(38)48)53-47-24-10-8-20-40(47)35-52-54(53)49-25-11-12-28-51(49)61-52;1-2-13-30(14-3-1)43-46-44(36-20-10-17-28-11-6-8-18-34(28)36)48-45(47-43)37-23-21-29-12-7-9-19-35(29)42(37)33-22-24-40-38(26-33)39-25-31-15-4-5-16-32(31)27-41(39)49-40;1-2-12-29(13-3-1)43-46-44(37-21-8-16-28-11-6-7-17-33(28)37)48-45(47-43)38-22-10-19-35-34(18-9-20-36(35)38)32-23-24-41-39(26-32)40-25-30-14-4-5-15-31(30)27-42(40)49-41;1-2-12-29(13-3-1)43-46-44(37-20-10-16-28-11-6-7-17-33(28)37)48-45(47-43)38-23-22-34(35-18-8-9-19-36(35)38)32-21-24-41-39(26-32)40-25-30-14-4-5-15-31(30)27-42(40)49-41/h1-35H;3*1-27H
• InChIKey: ITKWAZANOVNJDR-UHFFFAOYSA-N
• XLogP: 52.80
• TPSA: 154.68 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 18
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2719.39
LogP ≤ 5	52.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-4-(1-naphtho[2,3-b][1]benzothiol-2-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(4-naphtho[2,3-b][1]benzothiol-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(5-naphtho[2,3-b][1]benzothiol-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-(3-naphthalen-1-yl-5-phenylphenyl)-4-(7-naphtho[3,2-b][1]benzothiol-11-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine?

The IUPAC name of 2-naphthalen-1-yl-4-(1-naphtho[2,3-b][1]benzothiol-2-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(4-naphtho[2,3-b][1]benzothiol-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(5-naphtho[2,3-b][1]benzothiol-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-(3-naphthalen-1-yl-5-phenylphenyl)-4-(7-naphtho[3,2-b][1]benzothiol-11-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine (CID 158800578) is 2-naphthalen-1-yl-4-(1-naphtho[2,3-b][1]benzothiol-2-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(4-naphtho[2,3-b][1]benzothiol-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(5-naphtho[2,3-b][1]benzothiol-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-(3-naphthalen-1-yl-5-phenylphenyl)-4-(7-naphtho[3,2-b][1]benzothiol-11-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine.

What is the SMILES notation for 2-naphthalen-1-yl-4-(1-naphtho[2,3-b][1]benzothiol-2-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(4-naphtho[2,3-b][1]benzothiol-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(5-naphtho[2,3-b][1]benzothiol-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-(3-naphthalen-1-yl-5-phenylphenyl)-4-(7-naphtho[3,2-b][1]benzothiol-11-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine?

The canonical SMILES for 2-naphthalen-1-yl-4-(1-naphtho[2,3-b][1]benzothiol-2-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(4-naphtho[2,3-b][1]benzothiol-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(5-naphtho[2,3-b][1]benzothiol-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-(3-naphthalen-1-yl-5-phenylphenyl)-4-(7-naphtho[3,2-b][1]benzothiol-11-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine is c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4cccc5ccc(-c6c7ccccc7cc7sc8ccccc8c67)cc45)n3)cc(-c3cccc4ccccc34)c2)cc1.c1ccc(-c2nc(-c3ccc4ccccc4c3-c3ccc4sc5cc6ccccc6cc5c4c3)nc(-c3cccc4ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3ccc(-c4ccc5sc6cc7ccccc7cc6c5c4)c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4c(-c5ccc6sc7cc8ccccc8cc7c6c5)cccc34)n2)cc1.

What is the InChIKey of 2-naphthalen-1-yl-4-(1-naphtho[2,3-b][1]benzothiol-2-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(4-naphtho[2,3-b][1]benzothiol-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(5-naphtho[2,3-b][1]benzothiol-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-(3-naphthalen-1-yl-5-phenylphenyl)-4-(7-naphtho[3,2-b][1]benzothiol-11-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine?

The InChIKey is ITKWAZANOVNJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N3S.3C45H27N3S/c1-3-15-36(16-4-1)42-31-43(46-26-13-21-37-17-7-9-23-45(37)46)33-44(32-42)56-58-55(39-18-5-2-6-19-39)59-57(60-56)48-27-14-22-38-29-30-41(34-50(38)48)53-47-24-10-8-20-40(47)35-52-54(53)49-25-11-12-28-51(49)61-52;1-2-13-30(14-3-1)43-46-44(36-20-10-17-28-11-6-8-18-34(28)36)48-45(47-43)37-23-21-29-12-7-9-19-35(29)42(37)33-22-24-40-38(26-33)39-25-31-15-4-5-16-32(31)27-41(39)49-40;1-2-12-29(13-3-1)43-46-44(37-21-8-16-28-11-6-7-17-33(28)37)48-45(47-43)38-22-10-19-35-34(18-9-20-36(35)38)32-23-24-41-39(26-32)40-25-30-14-4-5-15-31(30)27-42(40)49-41;1-2-12-29(13-3-1)43-46-44(37-20-10-16-28-11-6-7-17-33(28)37)48-45(47-43)38-23-22-34(35-18-8-9-19-36(35)38)32-21-24-41-39(26-32)40-25-30-14-4-5-15-31(30)27-42(40)49-41/h1-35H;3*1-27H.

What are the key properties of 2-naphthalen-1-yl-4-(1-naphtho[2,3-b][1]benzothiol-2-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(4-naphtho[2,3-b][1]benzothiol-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(5-naphtho[2,3-b][1]benzothiol-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-(3-naphthalen-1-yl-5-phenylphenyl)-4-(7-naphtho[3,2-b][1]benzothiol-11-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine?

2-naphthalen-1-yl-4-(1-naphtho[2,3-b][1]benzothiol-2-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(4-naphtho[2,3-b][1]benzothiol-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(5-naphtho[2,3-b][1]benzothiol-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-(3-naphthalen-1-yl-5-phenylphenyl)-4-(7-naphtho[3,2-b][1]benzothiol-11-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 2719.39 g/mol, XLogP of 52.80, 18 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-naphthalen-1-yl-4-(1-naphtho[2,3-b][1]benzothiol-2-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(4-naphtho[2,3-b][1]benzothiol-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(5-naphtho[2,3-b][1]benzothiol-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-(3-naphthalen-1-yl-5-phenylphenyl)-4-(7-naphtho[3,2-b][1]benzothiol-11-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 158800578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).