4,6-bis(3,5-dipyridin-2-ylphenyl)-2-methylpyrimidine;1-(3,5-diphenylphenyl)sulfonyl-3,5-diphenylbenzene;4-(3,5-dipyridin-3-ylphenyl)-6-(3-phenyl-5-pyridin-3-ylphenyl)pyrimidine

C110H77N11O2S — CID 161213713

About 4,6-bis(3,5-dipyridin-2-ylphenyl)-2-methylpyrimidine;1-(3,5-diphenylphenyl)sulfonyl-3,5-diphenylbenzene;4-(3,5-dipyridin-3-ylphenyl)-6-(3-phenyl-5-pyridin-3-ylphenyl)pyrimidine

4,6-bis(3,5-dipyridin-2-ylphenyl)-2-methylpyrimidine;1-(3,5-diphenylphenyl)sulfonyl-3,5-diphenylbenzene;4-(3,5-dipyridin-3-ylphenyl)-6-(3-phenyl-5-pyridin-3-ylphenyl)pyrimidine (PubChem CID 161213713) has the molecular formula C110H77N11O2S and a molecular weight of 1616.97 g/mol. Its IUPAC name is 4,6-bis(3,5-dipyridin-2-ylphenyl)-2-methylpyrimidine;1-(3,5-diphenylphenyl)sulfonyl-3,5-diphenylbenzene;4-(3,5-dipyridin-3-ylphenyl)-6-(3-phenyl-5-pyridin-3-ylphenyl)pyrimidine.

Molecular Properties

• Compound Name: 4,6-bis(3,5-dipyridin-2-ylphenyl)-2-methylpyrimidine;1-(3,5-diphenylphenyl)sulfonyl-3,5-diphenylbenzene;4-(3,5-dipyridin-3-ylphenyl)-6-(3-phenyl-5-pyridin-3-ylphenyl)pyrimidine
• PubChem CID: 161213713
• Molecular Formula: C110H77N11O2S
• Molecular Weight: 1616.97 g/mol
• Exact Mass: 1615.60
• IUPAC Name: 4,6-bis(3,5-dipyridin-2-ylphenyl)-2-methylpyrimidine;1-(3,5-diphenylphenyl)sulfonyl-3,5-diphenylbenzene;4-(3,5-dipyridin-3-ylphenyl)-6-(3-phenyl-5-pyridin-3-ylphenyl)pyrimidine
• SMILES: Cc1nc(-c2cc(-c3ccccn3)cc(-c3ccccn3)c2)cc(-c2cc(-c3ccccn3)cc(-c3ccccn3)c2)n1.O=S(=O)(c1cc(-c2ccccc2)cc(-c2ccccc2)c1)c1cc(-c2ccccc2)cc(-c2ccccc2)c1.c1ccc(-c2cc(-c3cccnc3)cc(-c3cc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)ncn3)c2)cc1
• InChI: InChI=1S/C37H26N6.C37H25N5.C36H26O2S/c1-25-42-36(30-20-26(32-10-2-6-14-38-32)18-27(21-30)33-11-3-7-15-39-33)24-37(43-25)31-22-28(34-12-4-8-16-40-34)19-29(23-31)35-13-5-9-17-41-35;1-2-7-26(8-3-1)30-15-31(27-9-4-12-38-22-27)18-34(17-30)36-21-37(42-25-41-36)35-19-32(28-10-5-13-39-23-28)16-33(20-35)29-11-6-14-40-24-29;37-39(38,35-23-31(27-13-5-1-6-14-27)21-32(24-35)28-15-7-2-8-16-28)36-25-33(29-17-9-3-10-18-29)22-34(26-36)30-19-11-4-12-20-30/h2-24H,1H3;1-25H;1-26H
• InChIKey: UWORGWIODOXCPL-UHFFFAOYSA-N
• XLogP: 26.22
• TPSA: 175.93 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 18
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1616.97
LogP ≤ 5	26.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(3,5-dipyridin-2-ylphenyl)-2-methylpyrimidine;1-(3,5-diphenylphenyl)sulfonyl-3,5-diphenylbenzene;4-(3,5-dipyridin-3-ylphenyl)-6-(3-phenyl-5-pyridin-3-ylphenyl)pyrimidine?

The IUPAC name of 4,6-bis(3,5-dipyridin-2-ylphenyl)-2-methylpyrimidine;1-(3,5-diphenylphenyl)sulfonyl-3,5-diphenylbenzene;4-(3,5-dipyridin-3-ylphenyl)-6-(3-phenyl-5-pyridin-3-ylphenyl)pyrimidine (CID 161213713) is 4,6-bis(3,5-dipyridin-2-ylphenyl)-2-methylpyrimidine;1-(3,5-diphenylphenyl)sulfonyl-3,5-diphenylbenzene;4-(3,5-dipyridin-3-ylphenyl)-6-(3-phenyl-5-pyridin-3-ylphenyl)pyrimidine.

What is the SMILES notation for 4,6-bis(3,5-dipyridin-2-ylphenyl)-2-methylpyrimidine;1-(3,5-diphenylphenyl)sulfonyl-3,5-diphenylbenzene;4-(3,5-dipyridin-3-ylphenyl)-6-(3-phenyl-5-pyridin-3-ylphenyl)pyrimidine?

The canonical SMILES for 4,6-bis(3,5-dipyridin-2-ylphenyl)-2-methylpyrimidine;1-(3,5-diphenylphenyl)sulfonyl-3,5-diphenylbenzene;4-(3,5-dipyridin-3-ylphenyl)-6-(3-phenyl-5-pyridin-3-ylphenyl)pyrimidine is Cc1nc(-c2cc(-c3ccccn3)cc(-c3ccccn3)c2)cc(-c2cc(-c3ccccn3)cc(-c3ccccn3)c2)n1.O=S(=O)(c1cc(-c2ccccc2)cc(-c2ccccc2)c1)c1cc(-c2ccccc2)cc(-c2ccccc2)c1.c1ccc(-c2cc(-c3cccnc3)cc(-c3cc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)ncn3)c2)cc1.

What is the InChIKey of 4,6-bis(3,5-dipyridin-2-ylphenyl)-2-methylpyrimidine;1-(3,5-diphenylphenyl)sulfonyl-3,5-diphenylbenzene;4-(3,5-dipyridin-3-ylphenyl)-6-(3-phenyl-5-pyridin-3-ylphenyl)pyrimidine?

The InChIKey is UWORGWIODOXCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N6.C37H25N5.C36H26O2S/c1-25-42-36(30-20-26(32-10-2-6-14-38-32)18-27(21-30)33-11-3-7-15-39-33)24-37(43-25)31-22-28(34-12-4-8-16-40-34)19-29(23-31)35-13-5-9-17-41-35;1-2-7-26(8-3-1)30-15-31(27-9-4-12-38-22-27)18-34(17-30)36-21-37(42-25-41-36)35-19-32(28-10-5-13-39-23-28)16-33(20-35)29-11-6-14-40-24-29;37-39(38,35-23-31(27-13-5-1-6-14-27)21-32(24-35)28-15-7-2-8-16-28)36-25-33(29-17-9-3-10-18-29)22-34(26-36)30-19-11-4-12-20-30/h2-24H,1H3;1-25H;1-26H.

What are the key properties of 4,6-bis(3,5-dipyridin-2-ylphenyl)-2-methylpyrimidine;1-(3,5-diphenylphenyl)sulfonyl-3,5-diphenylbenzene;4-(3,5-dipyridin-3-ylphenyl)-6-(3-phenyl-5-pyridin-3-ylphenyl)pyrimidine?

4,6-bis(3,5-dipyridin-2-ylphenyl)-2-methylpyrimidine;1-(3,5-diphenylphenyl)sulfonyl-3,5-diphenylbenzene;4-(3,5-dipyridin-3-ylphenyl)-6-(3-phenyl-5-pyridin-3-ylphenyl)pyrimidine has a molecular weight of 1616.97 g/mol, XLogP of 26.22, 18 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4,6-bis(3,5-dipyridin-2-ylphenyl)-2-methylpyrimidine;1-(3,5-diphenylphenyl)sulfonyl-3,5-diphenylbenzene;4-(3,5-dipyridin-3-ylphenyl)-6-(3-phenyl-5-pyridin-3-ylphenyl)pyrimidine is sourced from PubChem (CID 161213713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).