2-(4-ethoxy-6-naphtho[2,1-b][1]benzofuran-5-yl-1,3,5-triazin-2-yl)phenol;2-(4-ethoxy-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazin-2-yl)phenol;2-[4-ethoxy-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-ethoxy-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazin-2-yl]phenol

C118H82N12O12 — CID 165014001

About 2-(4-ethoxy-6-naphtho[2,1-b][1]benzofuran-5-yl-1,3,5-triazin-2-yl)phenol;2-(4-ethoxy-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazin-2-yl)phenol;2-[4-ethoxy-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-ethoxy-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazin-2-yl]phenol

2-(4-ethoxy-6-naphtho[2,1-b][1]benzofuran-5-yl-1,3,5-triazin-2-yl)phenol;2-(4-ethoxy-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazin-2-yl)phenol;2-[4-ethoxy-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-ethoxy-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazin-2-yl]phenol (PubChem CID 165014001) has the molecular formula C118H82N12O12 and a molecular weight of 1860.03 g/mol. Its IUPAC name is 2-(4-ethoxy-6-naphtho[2,1-b][1]benzofuran-5-yl-1,3,5-triazin-2-yl)phenol;2-(4-ethoxy-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazin-2-yl)phenol;2-[4-ethoxy-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-ethoxy-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazin-2-yl]phenol.

Molecular Properties

• Compound Name: 2-(4-ethoxy-6-naphtho[2,1-b][1]benzofuran-5-yl-1,3,5-triazin-2-yl)phenol;2-(4-ethoxy-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazin-2-yl)phenol;2-[4-ethoxy-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-ethoxy-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazin-2-yl]phenol
• PubChem CID: 165014001
• Molecular Formula: C118H82N12O12
• Molecular Weight: 1860.03 g/mol
• Exact Mass: 1858.62
• IUPAC Name: 2-(4-ethoxy-6-naphtho[2,1-b][1]benzofuran-5-yl-1,3,5-triazin-2-yl)phenol;2-(4-ethoxy-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazin-2-yl)phenol;2-[4-ethoxy-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-ethoxy-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazin-2-yl]phenol
• SMILES: CCOc1nc(-c2ccc3c(c2)oc2cc4ccccc4cc23)nc(-c2ccccc2O)n1.CCOc1nc(-c2ccccc2O)nc(-c2cc3oc4cc(-c5ccccc5)ccc4c3c3ccccc23)n1.CCOc1nc(-c2ccccc2O)nc(-c2cc3oc4ccc5ccccc5c4c3c3ccccc23)n1.CCOc1nc(-c2ccccc2O)nc(-c2cc3oc4ccccc4c3c3ccccc23)n1
• InChI: InChI=1S/C33H23N3O3.C31H21N3O3.2C27H19N3O3/c1-2-38-33-35-31(24-14-8-9-15-27(24)37)34-32(36-33)26-19-29-30(23-13-7-6-12-22(23)26)25-17-16-21(18-28(25)39-29)20-10-4-3-5-11-20;1-2-36-31-33-29(22-13-7-8-14-24(22)35)32-30(34-31)23-17-26-28(21-12-6-5-11-20(21)23)27-19-10-4-3-9-18(19)15-16-25(27)37-26;1-2-32-27-29-25(18-11-5-7-13-21(18)31)28-26(30-27)20-15-23-24(17-10-4-3-9-16(17)20)19-12-6-8-14-22(19)33-23;1-2-32-27-29-25(28-26(30-27)20-9-5-6-10-22(20)31)18-11-12-19-21-13-16-7-3-4-8-17(16)14-24(21)33-23(19)15-18/h3-19,37H,2H2,1H3;3-17,35H,2H2,1H3;2*3-15,31H,2H2,1H3
• InChIKey: KDDNIWMSYLOAQH-UHFFFAOYSA-N
• XLogP: 28.27
• TPSA: 325.08 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 17
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1860.03
LogP ≤ 5	28.27
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-6-naphtho[2,1-b][1]benzofuran-5-yl-1,3,5-triazin-2-yl)phenol;2-(4-ethoxy-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazin-2-yl)phenol;2-[4-ethoxy-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-ethoxy-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazin-2-yl]phenol?

The IUPAC name of 2-(4-ethoxy-6-naphtho[2,1-b][1]benzofuran-5-yl-1,3,5-triazin-2-yl)phenol;2-(4-ethoxy-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazin-2-yl)phenol;2-[4-ethoxy-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-ethoxy-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazin-2-yl]phenol (CID 165014001) is 2-(4-ethoxy-6-naphtho[2,1-b][1]benzofuran-5-yl-1,3,5-triazin-2-yl)phenol;2-(4-ethoxy-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazin-2-yl)phenol;2-[4-ethoxy-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-ethoxy-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazin-2-yl]phenol.

What is the SMILES notation for 2-(4-ethoxy-6-naphtho[2,1-b][1]benzofuran-5-yl-1,3,5-triazin-2-yl)phenol;2-(4-ethoxy-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazin-2-yl)phenol;2-[4-ethoxy-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-ethoxy-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazin-2-yl]phenol?

The canonical SMILES for 2-(4-ethoxy-6-naphtho[2,1-b][1]benzofuran-5-yl-1,3,5-triazin-2-yl)phenol;2-(4-ethoxy-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazin-2-yl)phenol;2-[4-ethoxy-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-ethoxy-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazin-2-yl]phenol is CCOc1nc(-c2ccc3c(c2)oc2cc4ccccc4cc23)nc(-c2ccccc2O)n1.CCOc1nc(-c2ccccc2O)nc(-c2cc3oc4cc(-c5ccccc5)ccc4c3c3ccccc23)n1.CCOc1nc(-c2ccccc2O)nc(-c2cc3oc4ccc5ccccc5c4c3c3ccccc23)n1.CCOc1nc(-c2ccccc2O)nc(-c2cc3oc4ccccc4c3c3ccccc23)n1.

What is the InChIKey of 2-(4-ethoxy-6-naphtho[2,1-b][1]benzofuran-5-yl-1,3,5-triazin-2-yl)phenol;2-(4-ethoxy-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazin-2-yl)phenol;2-[4-ethoxy-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-ethoxy-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazin-2-yl]phenol?

The InChIKey is KDDNIWMSYLOAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23N3O3.C31H21N3O3.2C27H19N3O3/c1-2-38-33-35-31(24-14-8-9-15-27(24)37)34-32(36-33)26-19-29-30(23-13-7-6-12-22(23)26)25-17-16-21(18-28(25)39-29)20-10-4-3-5-11-20;1-2-36-31-33-29(22-13-7-8-14-24(22)35)32-30(34-31)23-17-26-28(21-12-6-5-11-20(21)23)27-19-10-4-3-9-18(19)15-16-25(27)37-26;1-2-32-27-29-25(18-11-5-7-13-21(18)31)28-26(30-27)20-15-23-24(17-10-4-3-9-16(17)20)19-12-6-8-14-22(19)33-23;1-2-32-27-29-25(28-26(30-27)20-9-5-6-10-22(20)31)18-11-12-19-21-13-16-7-3-4-8-17(16)14-24(21)33-23(19)15-18/h3-19,37H,2H2,1H3;3-17,35H,2H2,1H3;2*3-15,31H,2H2,1H3.

What are the key properties of 2-(4-ethoxy-6-naphtho[2,1-b][1]benzofuran-5-yl-1,3,5-triazin-2-yl)phenol;2-(4-ethoxy-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazin-2-yl)phenol;2-[4-ethoxy-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-ethoxy-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazin-2-yl]phenol?

2-(4-ethoxy-6-naphtho[2,1-b][1]benzofuran-5-yl-1,3,5-triazin-2-yl)phenol;2-(4-ethoxy-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazin-2-yl)phenol;2-[4-ethoxy-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-ethoxy-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazin-2-yl]phenol has a molecular weight of 1860.03 g/mol, XLogP of 28.27, 17 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-ethoxy-6-naphtho[2,1-b][1]benzofuran-5-yl-1,3,5-triazin-2-yl)phenol;2-(4-ethoxy-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazin-2-yl)phenol;2-[4-ethoxy-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-ethoxy-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazin-2-yl]phenol is sourced from PubChem (CID 165014001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).