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

C182H116N8O4 — CID 167704471

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

2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-4,6-bis(4-phenylphenyl)pyrimidine;2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-4,6-diphenylpyrimidine;2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)pyrimidine;2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine (PubChem CID 167704471) has the molecular formula C182H116N8O4 and a molecular weight of 2478.98 g/mol. Its IUPAC name is 2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-4,6-bis(4-phenylphenyl)pyrimidine;2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-4,6-diphenylpyrimidine;2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)pyrimidine;2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine.

Molecular Properties

• Compound Name: 2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-4,6-bis(4-phenylphenyl)pyrimidine;2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-4,6-diphenylpyrimidine;2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)pyrimidine;2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
• PubChem CID: 167704471
• Molecular Formula: C182H116N8O4
• Molecular Weight: 2478.98 g/mol
• Exact Mass: 2476.91
• IUPAC Name: 2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-4,6-bis(4-phenylphenyl)pyrimidine;2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-4,6-diphenylpyrimidine;2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)pyrimidine;2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
• SMILES: c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)-c4cccc6cccc(c46)O5)cc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccc6c(c5)-c5cccc7cccc(c57)O6)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5ccc6c(c5)-c5cccc7cccc(c57)O6)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4-c4ccccc4)nc(-c4ccc(-c5ccc6c(c5)-c5cccc7cccc(c57)O6)cc4)n3)cc2)cc1
• InChI: InChI=1S/2C50H32N2O.C44H28N2O.C38H24N2O/c1-3-9-33(10-4-1)35-17-23-38(24-18-35)45-32-46(39-25-19-36(20-26-39)34-11-5-2-6-12-34)52-50(51-45)41-27-21-37(22-28-41)42-29-30-47-44(31-42)43-15-7-13-40-14-8-16-48(53-47)49(40)43;1-3-11-33(12-4-1)34-21-25-37(26-22-34)45-32-46(42-18-8-7-17-41(42)36-13-5-2-6-14-36)52-50(51-45)39-27-23-35(24-28-39)40-29-30-47-44(31-40)43-19-9-15-38-16-10-20-48(53-47)49(38)43;1-3-9-29(10-4-1)30-17-21-33(22-18-30)40-28-39(32-11-5-2-6-12-32)45-44(46-40)35-23-19-31(20-24-35)36-25-26-41-38(27-36)37-15-7-13-34-14-8-16-42(47-41)43(34)37;1-3-9-26(10-4-1)33-24-34(27-11-5-2-6-12-27)40-38(39-33)29-19-17-25(18-20-29)30-21-22-35-32(23-30)31-15-7-13-28-14-8-16-36(41-35)37(28)31/h2*1-32H;1-28H;1-24H
• InChIKey: YWTMJZVNMGLTHW-UHFFFAOYSA-N
• XLogP: 48.62
• TPSA: 140.04 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 21
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2478.98
LogP ≤ 5	48.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

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

The IUPAC name of 2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-4,6-bis(4-phenylphenyl)pyrimidine;2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-4,6-diphenylpyrimidine;2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)pyrimidine;2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine (CID 167704471) is 2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-4,6-bis(4-phenylphenyl)pyrimidine;2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-4,6-diphenylpyrimidine;2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)pyrimidine;2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine.

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

The canonical SMILES for 2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-4,6-bis(4-phenylphenyl)pyrimidine;2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-4,6-diphenylpyrimidine;2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)pyrimidine;2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)-c4cccc6cccc(c46)O5)cc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccc6c(c5)-c5cccc7cccc(c57)O6)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5ccc6c(c5)-c5cccc7cccc(c57)O6)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4-c4ccccc4)nc(-c4ccc(-c5ccc6c(c5)-c5cccc7cccc(c57)O6)cc4)n3)cc2)cc1.

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

The InChIKey is YWTMJZVNMGLTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C50H32N2O.C44H28N2O.C38H24N2O/c1-3-9-33(10-4-1)35-17-23-38(24-18-35)45-32-46(39-25-19-36(20-26-39)34-11-5-2-6-12-34)52-50(51-45)41-27-21-37(22-28-41)42-29-30-47-44(31-42)43-15-7-13-40-14-8-16-48(53-47)49(40)43;1-3-11-33(12-4-1)34-21-25-37(26-22-34)45-32-46(42-18-8-7-17-41(42)36-13-5-2-6-14-36)52-50(51-45)39-27-23-35(24-28-39)40-29-30-47-44(31-40)43-19-9-15-38-16-10-20-48(53-47)49(38)43;1-3-9-29(10-4-1)30-17-21-33(22-18-30)40-28-39(32-11-5-2-6-12-32)45-44(46-40)35-23-19-31(20-24-35)36-25-26-41-38(27-36)37-15-7-13-34-14-8-16-42(47-41)43(34)37;1-3-9-26(10-4-1)33-24-34(27-11-5-2-6-12-27)40-38(39-33)29-19-17-25(18-20-29)30-21-22-35-32(23-30)31-15-7-13-28-14-8-16-36(41-35)37(28)31/h2*1-32H;1-28H;1-24H.

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

2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-4,6-bis(4-phenylphenyl)pyrimidine;2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-4,6-diphenylpyrimidine;2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)pyrimidine;2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine has a molecular weight of 2478.98 g/mol, XLogP of 48.62, 21 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-4,6-bis(4-phenylphenyl)pyrimidine;2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-4,6-diphenylpyrimidine;2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)pyrimidine;2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine is sourced from PubChem (CID 167704471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).