2-[4,6-bis(4-hexoxynaphthalen-1-yl)-1,3,5-triazin-2-yl]-5-hexoxyphenol;2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-(2-ethylhexoxy)phenol;2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-hexoxyphenol

C119H121N9O8 — CID 159852264

About 2-[4,6-bis(4-hexoxynaphthalen-1-yl)-1,3,5-triazin-2-yl]-5-hexoxyphenol;2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-(2-ethylhexoxy)phenol;2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-hexoxyphenol

2-[4,6-bis(4-hexoxynaphthalen-1-yl)-1,3,5-triazin-2-yl]-5-hexoxyphenol;2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-(2-ethylhexoxy)phenol;2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-hexoxyphenol (PubChem CID 159852264) has the molecular formula C119H121N9O8 and a molecular weight of 1805.33 g/mol. Its IUPAC name is 2-[4,6-bis(4-hexoxynaphthalen-1-yl)-1,3,5-triazin-2-yl]-5-hexoxyphenol;2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-(2-ethylhexoxy)phenol;2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-hexoxyphenol.

Molecular Properties

• Compound Name: 2-[4,6-bis(4-hexoxynaphthalen-1-yl)-1,3,5-triazin-2-yl]-5-hexoxyphenol;2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-(2-ethylhexoxy)phenol;2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-hexoxyphenol
• PubChem CID: 159852264
• Molecular Formula: C119H121N9O8
• Molecular Weight: 1805.33 g/mol
• Exact Mass: 1803.93
• IUPAC Name: 2-[4,6-bis(4-hexoxynaphthalen-1-yl)-1,3,5-triazin-2-yl]-5-hexoxyphenol;2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-(2-ethylhexoxy)phenol;2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-hexoxyphenol
• SMILES: CCCCC(CC)COc1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4ccccc34)n2)c(O)c1.CCCCCCOc1ccc(-c2nc(-c3ccc(OCCCCCC)c4ccccc34)nc(-c3ccc(OCCCCCC)c4ccccc34)n2)c(O)c1.CCCCCCOc1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4ccccc34)n2)c(O)c1
• InChI: InChI=1S/C47H55N3O4.C37H35N3O2.C35H31N3O2/c1-4-7-10-17-30-52-34-24-25-41(42(51)33-34)47-49-45(39-26-28-43(53-31-18-11-8-5-2)37-22-15-13-20-35(37)39)48-46(50-47)40-27-29-44(54-32-19-12-9-6-3)38-23-16-14-21-36(38)40;1-3-5-12-25(4-2)24-42-28-21-22-33(34(41)23-28)37-39-35(31-19-10-15-26-13-6-8-17-29(26)31)38-36(40-37)32-20-11-16-27-14-7-9-18-30(27)32;1-2-3-4-9-22-40-26-20-21-31(32(39)23-26)35-37-33(29-18-10-14-24-12-5-7-16-27(24)29)36-34(38-35)30-19-11-15-25-13-6-8-17-28(25)30/h13-16,20-29,33,51H,4-12,17-19,30-32H2,1-3H3;6-11,13-23,25,41H,3-5,12,24H2,1-2H3;5-8,10-21,23,39H,2-4,9,22H2,1H3
• InChIKey: NQBXUDBHTZYULN-UHFFFAOYSA-N
• XLogP: 31.09
• TPSA: 222.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 40
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1805.33
LogP ≤ 5	31.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-bis(4-hexoxynaphthalen-1-yl)-1,3,5-triazin-2-yl]-5-hexoxyphenol;2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-(2-ethylhexoxy)phenol;2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-hexoxyphenol?

The IUPAC name of 2-[4,6-bis(4-hexoxynaphthalen-1-yl)-1,3,5-triazin-2-yl]-5-hexoxyphenol;2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-(2-ethylhexoxy)phenol;2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-hexoxyphenol (CID 159852264) is 2-[4,6-bis(4-hexoxynaphthalen-1-yl)-1,3,5-triazin-2-yl]-5-hexoxyphenol;2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-(2-ethylhexoxy)phenol;2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-hexoxyphenol.

What is the SMILES notation for 2-[4,6-bis(4-hexoxynaphthalen-1-yl)-1,3,5-triazin-2-yl]-5-hexoxyphenol;2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-(2-ethylhexoxy)phenol;2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-hexoxyphenol?

The canonical SMILES for 2-[4,6-bis(4-hexoxynaphthalen-1-yl)-1,3,5-triazin-2-yl]-5-hexoxyphenol;2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-(2-ethylhexoxy)phenol;2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-hexoxyphenol is CCCCC(CC)COc1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4ccccc34)n2)c(O)c1.CCCCCCOc1ccc(-c2nc(-c3ccc(OCCCCCC)c4ccccc34)nc(-c3ccc(OCCCCCC)c4ccccc34)n2)c(O)c1.CCCCCCOc1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4ccccc34)n2)c(O)c1.

What is the InChIKey of 2-[4,6-bis(4-hexoxynaphthalen-1-yl)-1,3,5-triazin-2-yl]-5-hexoxyphenol;2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-(2-ethylhexoxy)phenol;2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-hexoxyphenol?

The InChIKey is NQBXUDBHTZYULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H55N3O4.C37H35N3O2.C35H31N3O2/c1-4-7-10-17-30-52-34-24-25-41(42(51)33-34)47-49-45(39-26-28-43(53-31-18-11-8-5-2)37-22-15-13-20-35(37)39)48-46(50-47)40-27-29-44(54-32-19-12-9-6-3)38-23-16-14-21-36(38)40;1-3-5-12-25(4-2)24-42-28-21-22-33(34(41)23-28)37-39-35(31-19-10-15-26-13-6-8-17-29(26)31)38-36(40-37)32-20-11-16-27-14-7-9-18-30(27)32;1-2-3-4-9-22-40-26-20-21-31(32(39)23-26)35-37-33(29-18-10-14-24-12-5-7-16-27(24)29)36-34(38-35)30-19-11-15-25-13-6-8-17-28(25)30/h13-16,20-29,33,51H,4-12,17-19,30-32H2,1-3H3;6-11,13-23,25,41H,3-5,12,24H2,1-2H3;5-8,10-21,23,39H,2-4,9,22H2,1H3.

What are the key properties of 2-[4,6-bis(4-hexoxynaphthalen-1-yl)-1,3,5-triazin-2-yl]-5-hexoxyphenol;2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-(2-ethylhexoxy)phenol;2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-hexoxyphenol?

2-[4,6-bis(4-hexoxynaphthalen-1-yl)-1,3,5-triazin-2-yl]-5-hexoxyphenol;2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-(2-ethylhexoxy)phenol;2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-hexoxyphenol has a molecular weight of 1805.33 g/mol, XLogP of 31.09, 40 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4,6-bis(4-hexoxynaphthalen-1-yl)-1,3,5-triazin-2-yl]-5-hexoxyphenol;2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-(2-ethylhexoxy)phenol;2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-hexoxyphenol is sourced from PubChem (CID 159852264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).