4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2,6-diphenylpyrimidine;4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-phenyl-6-(2-phenylphenyl)pyrimidine;4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine

C146H92N8O4 — CID 167594563

About 4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2,6-diphenylpyrimidine;4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-phenyl-6-(2-phenylphenyl)pyrimidine;4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine

4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2,6-diphenylpyrimidine;4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-phenyl-6-(2-phenylphenyl)pyrimidine;4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine (PubChem CID 167594563) has the molecular formula C146H92N8O4 and a molecular weight of 2022.39 g/mol. Its IUPAC name is 4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2,6-diphenylpyrimidine;4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-phenyl-6-(2-phenylphenyl)pyrimidine;4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine.

Molecular Properties

• Compound Name: 4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2,6-diphenylpyrimidine;4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-phenyl-6-(2-phenylphenyl)pyrimidine;4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
• PubChem CID: 167594563
• Molecular Formula: C146H92N8O4
• Molecular Weight: 2022.39 g/mol
• Exact Mass: 2020.72
• IUPAC Name: 4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2,6-diphenylpyrimidine;4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-phenyl-6-(2-phenylphenyl)pyrimidine;4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
• SMILES: c1ccc(-c2cc(-c3ccc4c(c3)Oc3cccc5cccc-4c35)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc5c(c4)Oc4cccc6cccc-5c46)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccc5c(c4)Oc4cccc6cccc-5c46)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)Oc3cccc5cccc-4c35)cc(-c3ccccc3-c3ccccc3)n2)cc1
• InChI: InChI=1S/3C38H24N2O.C32H20N2O/c1-3-10-25(11-4-1)28-16-7-17-29(22-28)33-24-34(40-38(39-33)27-12-5-2-6-13-27)30-20-21-31-32-18-8-14-26-15-9-19-35(37(26)32)41-36(31)23-30;1-3-9-25(10-4-1)26-17-19-27(20-18-26)33-24-34(40-38(39-33)29-11-5-2-6-12-29)30-21-22-31-32-15-7-13-28-14-8-16-35(37(28)32)41-36(31)23-30;1-3-11-25(12-4-1)29-17-7-8-18-30(29)34-24-33(39-38(40-34)27-13-5-2-6-14-27)28-21-22-31-32-19-9-15-26-16-10-20-35(37(26)32)41-36(31)23-28;1-3-9-21(10-4-1)27-20-28(34-32(33-27)23-11-5-2-6-12-23)24-17-18-25-26-15-7-13-22-14-8-16-29(31(22)26)35-30(25)19-24/h3*1-24H;1-20H
• InChIKey: IWNGMAKZNIBZJO-UHFFFAOYSA-N
• XLogP: 38.62
• TPSA: 140.04 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 15
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2022.39
LogP ≤ 5	38.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2,6-diphenylpyrimidine;4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-phenyl-6-(2-phenylphenyl)pyrimidine;4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine?

The IUPAC name of 4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2,6-diphenylpyrimidine;4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-phenyl-6-(2-phenylphenyl)pyrimidine;4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine (CID 167594563) is 4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2,6-diphenylpyrimidine;4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-phenyl-6-(2-phenylphenyl)pyrimidine;4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine.

What is the SMILES notation for 4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2,6-diphenylpyrimidine;4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-phenyl-6-(2-phenylphenyl)pyrimidine;4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine?

The canonical SMILES for 4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2,6-diphenylpyrimidine;4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-phenyl-6-(2-phenylphenyl)pyrimidine;4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine is c1ccc(-c2cc(-c3ccc4c(c3)Oc3cccc5cccc-4c35)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc5c(c4)Oc4cccc6cccc-5c46)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccc5c(c4)Oc4cccc6cccc-5c46)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)Oc3cccc5cccc-4c35)cc(-c3ccccc3-c3ccccc3)n2)cc1.

What is the InChIKey of 4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2,6-diphenylpyrimidine;4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-phenyl-6-(2-phenylphenyl)pyrimidine;4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine?

The InChIKey is IWNGMAKZNIBZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C38H24N2O.C32H20N2O/c1-3-10-25(11-4-1)28-16-7-17-29(22-28)33-24-34(40-38(39-33)27-12-5-2-6-13-27)30-20-21-31-32-18-8-14-26-15-9-19-35(37(26)32)41-36(31)23-30;1-3-9-25(10-4-1)26-17-19-27(20-18-26)33-24-34(40-38(39-33)29-11-5-2-6-12-29)30-21-22-31-32-15-7-13-28-14-8-16-35(37(28)32)41-36(31)23-30;1-3-11-25(12-4-1)29-17-7-8-18-30(29)34-24-33(39-38(40-34)27-13-5-2-6-14-27)28-21-22-31-32-19-9-15-26-16-10-20-35(37(26)32)41-36(31)23-28;1-3-9-21(10-4-1)27-20-28(34-32(33-27)23-11-5-2-6-12-23)24-17-18-25-26-15-7-13-22-14-8-16-29(31(22)26)35-30(25)19-24/h3*1-24H;1-20H.

What are the key properties of 4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2,6-diphenylpyrimidine;4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-phenyl-6-(2-phenylphenyl)pyrimidine;4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine?

4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2,6-diphenylpyrimidine;4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-phenyl-6-(2-phenylphenyl)pyrimidine;4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine has a molecular weight of 2022.39 g/mol, XLogP of 38.62, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2,6-diphenylpyrimidine;4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-phenyl-6-(2-phenylphenyl)pyrimidine;4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine is sourced from PubChem (CID 167594563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).