2-(4-methoxy-6-naphtho[2,3-b][1]benzofuran-3-ylpyrimidin-2-yl)phenol;2-[4-methoxy-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)pyrimidin-2-yl]phenol;2-[4-methoxy-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)pyrimidin-2-yl]phenol;2-(4-methylsulfanyl-6-naphtho[2,1-b][1]benzofuran-5-ylpyrimidin-2-yl)phenol;2-(4-methylsulfanyl-6-naphtho[2,1-b][1]benzofuran-9-ylpyrimidin-2-yl)phenol

C145H96N10O13S2 — CID 165090111

About 2-(4-methoxy-6-naphtho[2,3-b][1]benzofuran-3-ylpyrimidin-2-yl)phenol;2-[4-methoxy-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)pyrimidin-2-yl]phenol;2-[4-methoxy-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)pyrimidin-2-yl]phenol;2-(4-methylsulfanyl-6-naphtho[2,1-b][1]benzofuran-5-ylpyrimidin-2-yl)phenol;2-(4-methylsulfanyl-6-naphtho[2,1-b][1]benzofuran-9-ylpyrimidin-2-yl)phenol

2-(4-methoxy-6-naphtho[2,3-b][1]benzofuran-3-ylpyrimidin-2-yl)phenol;2-[4-methoxy-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)pyrimidin-2-yl]phenol;2-[4-methoxy-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)pyrimidin-2-yl]phenol;2-(4-methylsulfanyl-6-naphtho[2,1-b][1]benzofuran-5-ylpyrimidin-2-yl)phenol;2-(4-methylsulfanyl-6-naphtho[2,1-b][1]benzofuran-9-ylpyrimidin-2-yl)phenol (PubChem CID 165090111) has the molecular formula C145H96N10O13S2 and a molecular weight of 2250.55 g/mol. Its IUPAC name is 2-(4-methoxy-6-naphtho[2,3-b][1]benzofuran-3-ylpyrimidin-2-yl)phenol;2-[4-methoxy-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)pyrimidin-2-yl]phenol;2-[4-methoxy-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)pyrimidin-2-yl]phenol;2-(4-methylsulfanyl-6-naphtho[2,1-b][1]benzofuran-5-ylpyrimidin-2-yl)phenol;2-(4-methylsulfanyl-6-naphtho[2,1-b][1]benzofuran-9-ylpyrimidin-2-yl)phenol.

Molecular Properties

• Compound Name: 2-(4-methoxy-6-naphtho[2,3-b][1]benzofuran-3-ylpyrimidin-2-yl)phenol;2-[4-methoxy-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)pyrimidin-2-yl]phenol;2-[4-methoxy-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)pyrimidin-2-yl]phenol;2-(4-methylsulfanyl-6-naphtho[2,1-b][1]benzofuran-5-ylpyrimidin-2-yl)phenol;2-(4-methylsulfanyl-6-naphtho[2,1-b][1]benzofuran-9-ylpyrimidin-2-yl)phenol
• PubChem CID: 165090111
• Molecular Formula: C145H96N10O13S2
• Molecular Weight: 2250.55 g/mol
• Exact Mass: 2248.66
• IUPAC Name: 2-(4-methoxy-6-naphtho[2,3-b][1]benzofuran-3-ylpyrimidin-2-yl)phenol;2-[4-methoxy-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)pyrimidin-2-yl]phenol;2-[4-methoxy-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)pyrimidin-2-yl]phenol;2-(4-methylsulfanyl-6-naphtho[2,1-b][1]benzofuran-5-ylpyrimidin-2-yl)phenol;2-(4-methylsulfanyl-6-naphtho[2,1-b][1]benzofuran-9-ylpyrimidin-2-yl)phenol
• SMILES: COc1cc(-c2cc3oc4cc(-c5ccccc5)ccc4c3c3ccccc23)nc(-c2ccccc2O)n1.COc1cc(-c2cc3oc4ccc5ccccc5c4c3c3ccccc23)nc(-c2ccccc2O)n1.COc1cc(-c2ccc3c(c2)oc2cc4ccccc4cc23)nc(-c2ccccc2O)n1.CSc1cc(-c2cc3oc4ccccc4c3c3ccccc23)nc(-c2ccccc2O)n1.CSc1cc(-c2ccc3c(c2)oc2ccc4ccccc4c23)nc(-c2ccccc2O)n1
• InChI: InChI=1S/C33H22N2O3.C31H20N2O3.C27H18N2O3.2C27H18N2O2S/c1-37-31-19-27(34-33(35-31)24-13-7-8-14-28(24)36)26-18-30-32(23-12-6-5-11-22(23)26)25-16-15-21(17-29(25)38-30)20-9-3-2-4-10-20;1-35-28-17-24(32-31(33-28)22-12-6-7-13-25(22)34)23-16-27-30(21-11-5-4-10-20(21)23)29-19-9-3-2-8-18(19)14-15-26(29)36-27;1-31-26-15-22(28-27(29-26)20-8-4-5-9-23(20)30)18-10-11-19-21-12-16-6-2-3-7-17(16)13-25(21)32-24(19)14-18;1-32-25-15-21(28-27(29-25)18-10-4-6-12-22(18)30)20-14-24-26(17-9-3-2-8-16(17)20)19-11-5-7-13-23(19)31-24;1-32-25-15-21(28-27(29-25)19-8-4-5-9-22(19)30)17-10-12-20-24(14-17)31-23-13-11-16-6-2-3-7-18(16)26(20)23/h2-19,36H,1H3;2-17,34H,1H3;3*2-15,30H,1H3
• InChIKey: WOAQWESRDFBSTP-UHFFFAOYSA-N
• XLogP: 37.13
• TPSA: 323.44 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 16
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2250.55
LogP ≤ 5	37.13
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

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

The IUPAC name of 2-(4-methoxy-6-naphtho[2,3-b][1]benzofuran-3-ylpyrimidin-2-yl)phenol;2-[4-methoxy-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)pyrimidin-2-yl]phenol;2-[4-methoxy-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)pyrimidin-2-yl]phenol;2-(4-methylsulfanyl-6-naphtho[2,1-b][1]benzofuran-5-ylpyrimidin-2-yl)phenol;2-(4-methylsulfanyl-6-naphtho[2,1-b][1]benzofuran-9-ylpyrimidin-2-yl)phenol (CID 165090111) is 2-(4-methoxy-6-naphtho[2,3-b][1]benzofuran-3-ylpyrimidin-2-yl)phenol;2-[4-methoxy-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)pyrimidin-2-yl]phenol;2-[4-methoxy-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)pyrimidin-2-yl]phenol;2-(4-methylsulfanyl-6-naphtho[2,1-b][1]benzofuran-5-ylpyrimidin-2-yl)phenol;2-(4-methylsulfanyl-6-naphtho[2,1-b][1]benzofuran-9-ylpyrimidin-2-yl)phenol.

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

The canonical SMILES for 2-(4-methoxy-6-naphtho[2,3-b][1]benzofuran-3-ylpyrimidin-2-yl)phenol;2-[4-methoxy-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)pyrimidin-2-yl]phenol;2-[4-methoxy-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)pyrimidin-2-yl]phenol;2-(4-methylsulfanyl-6-naphtho[2,1-b][1]benzofuran-5-ylpyrimidin-2-yl)phenol;2-(4-methylsulfanyl-6-naphtho[2,1-b][1]benzofuran-9-ylpyrimidin-2-yl)phenol is COc1cc(-c2cc3oc4cc(-c5ccccc5)ccc4c3c3ccccc23)nc(-c2ccccc2O)n1.COc1cc(-c2cc3oc4ccc5ccccc5c4c3c3ccccc23)nc(-c2ccccc2O)n1.COc1cc(-c2ccc3c(c2)oc2cc4ccccc4cc23)nc(-c2ccccc2O)n1.CSc1cc(-c2cc3oc4ccccc4c3c3ccccc23)nc(-c2ccccc2O)n1.CSc1cc(-c2ccc3c(c2)oc2ccc4ccccc4c23)nc(-c2ccccc2O)n1.

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

The InChIKey is WOAQWESRDFBSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N2O3.C31H20N2O3.C27H18N2O3.2C27H18N2O2S/c1-37-31-19-27(34-33(35-31)24-13-7-8-14-28(24)36)26-18-30-32(23-12-6-5-11-22(23)26)25-16-15-21(17-29(25)38-30)20-9-3-2-4-10-20;1-35-28-17-24(32-31(33-28)22-12-6-7-13-25(22)34)23-16-27-30(21-11-5-4-10-20(21)23)29-19-9-3-2-8-18(19)14-15-26(29)36-27;1-31-26-15-22(28-27(29-26)20-8-4-5-9-23(20)30)18-10-11-19-21-12-16-6-2-3-7-17(16)13-25(21)32-24(19)14-18;1-32-25-15-21(28-27(29-25)18-10-4-6-12-22(18)30)20-14-24-26(17-9-3-2-8-16(17)20)19-11-5-7-13-23(19)31-24;1-32-25-15-21(28-27(29-25)19-8-4-5-9-22(19)30)17-10-12-20-24(14-17)31-23-13-11-16-6-2-3-7-18(16)26(20)23/h2-19,36H,1H3;2-17,34H,1H3;3*2-15,30H,1H3.

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

2-(4-methoxy-6-naphtho[2,3-b][1]benzofuran-3-ylpyrimidin-2-yl)phenol;2-[4-methoxy-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)pyrimidin-2-yl]phenol;2-[4-methoxy-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)pyrimidin-2-yl]phenol;2-(4-methylsulfanyl-6-naphtho[2,1-b][1]benzofuran-5-ylpyrimidin-2-yl)phenol;2-(4-methylsulfanyl-6-naphtho[2,1-b][1]benzofuran-9-ylpyrimidin-2-yl)phenol has a molecular weight of 2250.55 g/mol, XLogP of 37.13, 16 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methoxy-6-naphtho[2,3-b][1]benzofuran-3-ylpyrimidin-2-yl)phenol;2-[4-methoxy-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)pyrimidin-2-yl]phenol;2-[4-methoxy-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)pyrimidin-2-yl]phenol;2-(4-methylsulfanyl-6-naphtho[2,1-b][1]benzofuran-5-ylpyrimidin-2-yl)phenol;2-(4-methylsulfanyl-6-naphtho[2,1-b][1]benzofuran-9-ylpyrimidin-2-yl)phenol is sourced from PubChem (CID 165090111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).