2-[4-(2-ethylhexoxy)-6-naphtho[2,1-b][1]benzofuran-5-yl-1,3,5-triazin-2-yl]phenol;2-[4-(2-ethylhexoxy)-6-naphtho[2,1-b][1]benzofuran-9-yl-1,3,5-triazin-2-yl]phenol;2-[4-(2-ethylhexoxy)-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazin-2-yl]phenol;2-[4-(2-ethylhexoxy)-6-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)-1,3,5-triazin-2-yl]phenol

C136H126N12O12 — CID 165048433

About 2-[4-(2-ethylhexoxy)-6-naphtho[2,1-b][1]benzofuran-5-yl-1,3,5-triazin-2-yl]phenol;2-[4-(2-ethylhexoxy)-6-naphtho[2,1-b][1]benzofuran-9-yl-1,3,5-triazin-2-yl]phenol;2-[4-(2-ethylhexoxy)-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazin-2-yl]phenol;2-[4-(2-ethylhexoxy)-6-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)-1,3,5-triazin-2-yl]phenol

2-[4-(2-ethylhexoxy)-6-naphtho[2,1-b][1]benzofuran-5-yl-1,3,5-triazin-2-yl]phenol;2-[4-(2-ethylhexoxy)-6-naphtho[2,1-b][1]benzofuran-9-yl-1,3,5-triazin-2-yl]phenol;2-[4-(2-ethylhexoxy)-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazin-2-yl]phenol;2-[4-(2-ethylhexoxy)-6-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)-1,3,5-triazin-2-yl]phenol (PubChem CID 165048433) has the molecular formula C136H126N12O12 and a molecular weight of 2120.58 g/mol. Its IUPAC name is 2-[4-(2-ethylhexoxy)-6-naphtho[2,1-b][1]benzofuran-5-yl-1,3,5-triazin-2-yl]phenol;2-[4-(2-ethylhexoxy)-6-naphtho[2,1-b][1]benzofuran-9-yl-1,3,5-triazin-2-yl]phenol;2-[4-(2-ethylhexoxy)-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazin-2-yl]phenol;2-[4-(2-ethylhexoxy)-6-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)-1,3,5-triazin-2-yl]phenol.

Molecular Properties

• Compound Name: 2-[4-(2-ethylhexoxy)-6-naphtho[2,1-b][1]benzofuran-5-yl-1,3,5-triazin-2-yl]phenol;2-[4-(2-ethylhexoxy)-6-naphtho[2,1-b][1]benzofuran-9-yl-1,3,5-triazin-2-yl]phenol;2-[4-(2-ethylhexoxy)-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazin-2-yl]phenol;2-[4-(2-ethylhexoxy)-6-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)-1,3,5-triazin-2-yl]phenol
• PubChem CID: 165048433
• Molecular Formula: C136H126N12O12
• Molecular Weight: 2120.58 g/mol
• Exact Mass: 2118.96
• IUPAC Name: 2-[4-(2-ethylhexoxy)-6-naphtho[2,1-b][1]benzofuran-5-yl-1,3,5-triazin-2-yl]phenol;2-[4-(2-ethylhexoxy)-6-naphtho[2,1-b][1]benzofuran-9-yl-1,3,5-triazin-2-yl]phenol;2-[4-(2-ethylhexoxy)-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazin-2-yl]phenol;2-[4-(2-ethylhexoxy)-6-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)-1,3,5-triazin-2-yl]phenol
• SMILES: CCCCC(CC)COc1nc(-c2ccc3c(c2)oc2cc4ccccc4cc23)nc(-c2ccccc2O)n1.CCCCC(CC)COc1nc(-c2ccc3c(c2)oc2ccc4ccccc4c23)nc(-c2ccccc2O)n1.CCCCC(CC)COc1nc(-c2ccccc2O)nc(-c2cc3oc4ccc5ccccc5c4c3c3ccccc23)n1.CCCCC(CC)COc1nc(-c2ccccc2O)nc(-c2cc3oc4ccccc4c3c3ccccc23)n1
• InChI: InChI=1S/C37H33N3O3.3C33H31N3O3/c1-3-5-12-23(4-2)22-42-37-39-35(28-17-10-11-18-30(28)41)38-36(40-37)29-21-32-34(27-16-9-8-15-26(27)29)33-25-14-7-6-13-24(25)19-20-31(33)43-32;1-3-5-12-21(4-2)20-38-33-35-31(24-15-8-10-17-27(24)37)34-32(36-33)26-19-29-30(23-14-7-6-13-22(23)26)25-16-9-11-18-28(25)39-29;1-3-5-10-21(4-2)20-38-33-35-31(34-32(36-33)25-13-8-9-14-27(25)37)23-15-17-26-29(19-23)39-28-18-16-22-11-6-7-12-24(22)30(26)28;1-3-5-10-21(4-2)20-38-33-35-31(34-32(36-33)26-13-8-9-14-28(26)37)24-15-16-25-27-17-22-11-6-7-12-23(22)18-30(27)39-29(25)19-24/h6-11,13-21,23,41H,3-5,12,22H2,1-2H3;6-11,13-19,21,37H,3-5,12,20H2,1-2H3;2*6-9,11-19,21,37H,3-5,10,20H2,1-2H3
• InChIKey: PGTQWWKCJPYCJA-UHFFFAOYSA-N
• XLogP: 35.39
• TPSA: 325.08 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 36
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2120.58
LogP ≤ 5	35.39
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethylhexoxy)-6-naphtho[2,1-b][1]benzofuran-5-yl-1,3,5-triazin-2-yl]phenol;2-[4-(2-ethylhexoxy)-6-naphtho[2,1-b][1]benzofuran-9-yl-1,3,5-triazin-2-yl]phenol;2-[4-(2-ethylhexoxy)-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazin-2-yl]phenol;2-[4-(2-ethylhexoxy)-6-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)-1,3,5-triazin-2-yl]phenol?

The IUPAC name of 2-[4-(2-ethylhexoxy)-6-naphtho[2,1-b][1]benzofuran-5-yl-1,3,5-triazin-2-yl]phenol;2-[4-(2-ethylhexoxy)-6-naphtho[2,1-b][1]benzofuran-9-yl-1,3,5-triazin-2-yl]phenol;2-[4-(2-ethylhexoxy)-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazin-2-yl]phenol;2-[4-(2-ethylhexoxy)-6-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)-1,3,5-triazin-2-yl]phenol (CID 165048433) is 2-[4-(2-ethylhexoxy)-6-naphtho[2,1-b][1]benzofuran-5-yl-1,3,5-triazin-2-yl]phenol;2-[4-(2-ethylhexoxy)-6-naphtho[2,1-b][1]benzofuran-9-yl-1,3,5-triazin-2-yl]phenol;2-[4-(2-ethylhexoxy)-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazin-2-yl]phenol;2-[4-(2-ethylhexoxy)-6-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)-1,3,5-triazin-2-yl]phenol.

What is the SMILES notation for 2-[4-(2-ethylhexoxy)-6-naphtho[2,1-b][1]benzofuran-5-yl-1,3,5-triazin-2-yl]phenol;2-[4-(2-ethylhexoxy)-6-naphtho[2,1-b][1]benzofuran-9-yl-1,3,5-triazin-2-yl]phenol;2-[4-(2-ethylhexoxy)-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazin-2-yl]phenol;2-[4-(2-ethylhexoxy)-6-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)-1,3,5-triazin-2-yl]phenol?

The canonical SMILES for 2-[4-(2-ethylhexoxy)-6-naphtho[2,1-b][1]benzofuran-5-yl-1,3,5-triazin-2-yl]phenol;2-[4-(2-ethylhexoxy)-6-naphtho[2,1-b][1]benzofuran-9-yl-1,3,5-triazin-2-yl]phenol;2-[4-(2-ethylhexoxy)-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazin-2-yl]phenol;2-[4-(2-ethylhexoxy)-6-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)-1,3,5-triazin-2-yl]phenol is CCCCC(CC)COc1nc(-c2ccc3c(c2)oc2cc4ccccc4cc23)nc(-c2ccccc2O)n1.CCCCC(CC)COc1nc(-c2ccc3c(c2)oc2ccc4ccccc4c23)nc(-c2ccccc2O)n1.CCCCC(CC)COc1nc(-c2ccccc2O)nc(-c2cc3oc4ccc5ccccc5c4c3c3ccccc23)n1.CCCCC(CC)COc1nc(-c2ccccc2O)nc(-c2cc3oc4ccccc4c3c3ccccc23)n1.

What is the InChIKey of 2-[4-(2-ethylhexoxy)-6-naphtho[2,1-b][1]benzofuran-5-yl-1,3,5-triazin-2-yl]phenol;2-[4-(2-ethylhexoxy)-6-naphtho[2,1-b][1]benzofuran-9-yl-1,3,5-triazin-2-yl]phenol;2-[4-(2-ethylhexoxy)-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazin-2-yl]phenol;2-[4-(2-ethylhexoxy)-6-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)-1,3,5-triazin-2-yl]phenol?

The InChIKey is PGTQWWKCJPYCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H33N3O3.3C33H31N3O3/c1-3-5-12-23(4-2)22-42-37-39-35(28-17-10-11-18-30(28)41)38-36(40-37)29-21-32-34(27-16-9-8-15-26(27)29)33-25-14-7-6-13-24(25)19-20-31(33)43-32;1-3-5-12-21(4-2)20-38-33-35-31(24-15-8-10-17-27(24)37)34-32(36-33)26-19-29-30(23-14-7-6-13-22(23)26)25-16-9-11-18-28(25)39-29;1-3-5-10-21(4-2)20-38-33-35-31(34-32(36-33)25-13-8-9-14-27(25)37)23-15-17-26-29(19-23)39-28-18-16-22-11-6-7-12-24(22)30(26)28;1-3-5-10-21(4-2)20-38-33-35-31(34-32(36-33)26-13-8-9-14-28(26)37)24-15-16-25-27-17-22-11-6-7-12-23(22)18-30(27)39-29(25)19-24/h6-11,13-21,23,41H,3-5,12,22H2,1-2H3;6-11,13-19,21,37H,3-5,12,20H2,1-2H3;2*6-9,11-19,21,37H,3-5,10,20H2,1-2H3.

What are the key properties of 2-[4-(2-ethylhexoxy)-6-naphtho[2,1-b][1]benzofuran-5-yl-1,3,5-triazin-2-yl]phenol;2-[4-(2-ethylhexoxy)-6-naphtho[2,1-b][1]benzofuran-9-yl-1,3,5-triazin-2-yl]phenol;2-[4-(2-ethylhexoxy)-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazin-2-yl]phenol;2-[4-(2-ethylhexoxy)-6-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)-1,3,5-triazin-2-yl]phenol?

2-[4-(2-ethylhexoxy)-6-naphtho[2,1-b][1]benzofuran-5-yl-1,3,5-triazin-2-yl]phenol;2-[4-(2-ethylhexoxy)-6-naphtho[2,1-b][1]benzofuran-9-yl-1,3,5-triazin-2-yl]phenol;2-[4-(2-ethylhexoxy)-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazin-2-yl]phenol;2-[4-(2-ethylhexoxy)-6-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)-1,3,5-triazin-2-yl]phenol has a molecular weight of 2120.58 g/mol, XLogP of 35.39, 36 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(2-ethylhexoxy)-6-naphtho[2,1-b][1]benzofuran-5-yl-1,3,5-triazin-2-yl]phenol;2-[4-(2-ethylhexoxy)-6-naphtho[2,1-b][1]benzofuran-9-yl-1,3,5-triazin-2-yl]phenol;2-[4-(2-ethylhexoxy)-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazin-2-yl]phenol;2-[4-(2-ethylhexoxy)-6-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)-1,3,5-triazin-2-yl]phenol is sourced from PubChem (CID 165048433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).