4-chloro-2,6-diphenylpyrimidine;4-(5-chloro-2-fluorophenyl)-2,6-diphenylpyrimidine;2-(5-chloro-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-(2,6-diphenylpyrimidin-4-yl)-4-fluorophenyl]-4,6-diphenylpyrimidine;4,6-diphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine;molecular iodine

C110H88B2Cl3F3I2N10O4 — CID 158071179

About 4-chloro-2,6-diphenylpyrimidine;4-(5-chloro-2-fluorophenyl)-2,6-diphenylpyrimidine;2-(5-chloro-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-(2,6-diphenylpyrimidin-4-yl)-4-fluorophenyl]-4,6-diphenylpyrimidine;4,6-diphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine;molecular iodine

4-chloro-2,6-diphenylpyrimidine;4-(5-chloro-2-fluorophenyl)-2,6-diphenylpyrimidine;2-(5-chloro-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-(2,6-diphenylpyrimidin-4-yl)-4-fluorophenyl]-4,6-diphenylpyrimidine;4,6-diphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine;molecular iodine (PubChem CID 158071179) has the molecular formula C110H88B2Cl3F3I2N10O4 and a molecular weight of 2052.76 g/mol. Its IUPAC name is 4-chloro-2,6-diphenylpyrimidine;4-(5-chloro-2-fluorophenyl)-2,6-diphenylpyrimidine;2-(5-chloro-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-(2,6-diphenylpyrimidin-4-yl)-4-fluorophenyl]-4,6-diphenylpyrimidine;4,6-diphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine;molecular iodine.

Molecular Properties

• Compound Name: 4-chloro-2,6-diphenylpyrimidine;4-(5-chloro-2-fluorophenyl)-2,6-diphenylpyrimidine;2-(5-chloro-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-(2,6-diphenylpyrimidin-4-yl)-4-fluorophenyl]-4,6-diphenylpyrimidine;4,6-diphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine;molecular iodine
• PubChem CID: 158071179
• Molecular Formula: C110H88B2Cl3F3I2N10O4
• Molecular Weight: 2052.76 g/mol
• Exact Mass: 2050.43
• IUPAC Name: 4-chloro-2,6-diphenylpyrimidine;4-(5-chloro-2-fluorophenyl)-2,6-diphenylpyrimidine;2-(5-chloro-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-(2,6-diphenylpyrimidin-4-yl)-4-fluorophenyl]-4,6-diphenylpyrimidine;4,6-diphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine;molecular iodine
• SMILES: CC1(C)OB(c2cc(Cl)ccc2F)OC1(C)C.CC1(C)OB(c2nc(-c3ccccc3)cc(-c3ccccc3)n2)OC1(C)C.Clc1cc(-c2ccccc2)nc(-c2ccccc2)n1.Fc1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1cc(-c2ccccc2)nc(-c2ccccc2)n1.Fc1ccc(Cl)cc1-c1cc(-c2ccccc2)nc(-c2ccccc2)n1.II
• InChI: InChI=1S/C38H25FN4.C22H23BN2O2.C22H14ClFN2.C16H11ClN2.C12H15BClFO2.I2/c39-32-22-21-30(38-41-33(26-13-5-1-6-14-26)24-34(42-38)27-15-7-2-8-16-27)23-31(32)36-25-35(28-17-9-3-10-18-28)40-37(43-36)29-19-11-4-12-20-29;1-21(2)22(3,4)27-23(26-21)20-24-18(16-11-7-5-8-12-16)15-19(25-20)17-13-9-6-10-14-17;23-17-11-12-19(24)18(13-17)21-14-20(15-7-3-1-4-8-15)25-22(26-21)16-9-5-2-6-10-16;17-15-11-14(12-7-3-1-4-8-12)18-16(19-15)13-9-5-2-6-10-13;1-11(2)12(3,4)17-13(16-11)9-7-8(14)5-6-10(9)15;1-2/h1-25H;5-15H,1-4H3;1-14H;1-11H;5-7H,1-4H3
• InChIKey: FLVKMDFEUYDVEE-UHFFFAOYSA-N
• XLogP: 28.80
• TPSA: 165.82 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 15
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2052.76
LogP ≤ 5	28.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,6-diphenylpyrimidine;4-(5-chloro-2-fluorophenyl)-2,6-diphenylpyrimidine;2-(5-chloro-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-(2,6-diphenylpyrimidin-4-yl)-4-fluorophenyl]-4,6-diphenylpyrimidine;4,6-diphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine;molecular iodine?

The IUPAC name of 4-chloro-2,6-diphenylpyrimidine;4-(5-chloro-2-fluorophenyl)-2,6-diphenylpyrimidine;2-(5-chloro-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-(2,6-diphenylpyrimidin-4-yl)-4-fluorophenyl]-4,6-diphenylpyrimidine;4,6-diphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine;molecular iodine (CID 158071179) is 4-chloro-2,6-diphenylpyrimidine;4-(5-chloro-2-fluorophenyl)-2,6-diphenylpyrimidine;2-(5-chloro-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-(2,6-diphenylpyrimidin-4-yl)-4-fluorophenyl]-4,6-diphenylpyrimidine;4,6-diphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine;molecular iodine.

What is the SMILES notation for 4-chloro-2,6-diphenylpyrimidine;4-(5-chloro-2-fluorophenyl)-2,6-diphenylpyrimidine;2-(5-chloro-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-(2,6-diphenylpyrimidin-4-yl)-4-fluorophenyl]-4,6-diphenylpyrimidine;4,6-diphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine;molecular iodine?

The canonical SMILES for 4-chloro-2,6-diphenylpyrimidine;4-(5-chloro-2-fluorophenyl)-2,6-diphenylpyrimidine;2-(5-chloro-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-(2,6-diphenylpyrimidin-4-yl)-4-fluorophenyl]-4,6-diphenylpyrimidine;4,6-diphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine;molecular iodine is CC1(C)OB(c2cc(Cl)ccc2F)OC1(C)C.CC1(C)OB(c2nc(-c3ccccc3)cc(-c3ccccc3)n2)OC1(C)C.Clc1cc(-c2ccccc2)nc(-c2ccccc2)n1.Fc1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1cc(-c2ccccc2)nc(-c2ccccc2)n1.Fc1ccc(Cl)cc1-c1cc(-c2ccccc2)nc(-c2ccccc2)n1.II.

What is the InChIKey of 4-chloro-2,6-diphenylpyrimidine;4-(5-chloro-2-fluorophenyl)-2,6-diphenylpyrimidine;2-(5-chloro-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-(2,6-diphenylpyrimidin-4-yl)-4-fluorophenyl]-4,6-diphenylpyrimidine;4,6-diphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine;molecular iodine?

The InChIKey is FLVKMDFEUYDVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25FN4.C22H23BN2O2.C22H14ClFN2.C16H11ClN2.C12H15BClFO2.I2/c39-32-22-21-30(38-41-33(26-13-5-1-6-14-26)24-34(42-38)27-15-7-2-8-16-27)23-31(32)36-25-35(28-17-9-3-10-18-28)40-37(43-36)29-19-11-4-12-20-29;1-21(2)22(3,4)27-23(26-21)20-24-18(16-11-7-5-8-12-16)15-19(25-20)17-13-9-6-10-14-17;23-17-11-12-19(24)18(13-17)21-14-20(15-7-3-1-4-8-15)25-22(26-21)16-9-5-2-6-10-16;17-15-11-14(12-7-3-1-4-8-12)18-16(19-15)13-9-5-2-6-10-13;1-11(2)12(3,4)17-13(16-11)9-7-8(14)5-6-10(9)15;1-2/h1-25H;5-15H,1-4H3;1-14H;1-11H;5-7H,1-4H3;.

What are the key properties of 4-chloro-2,6-diphenylpyrimidine;4-(5-chloro-2-fluorophenyl)-2,6-diphenylpyrimidine;2-(5-chloro-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-(2,6-diphenylpyrimidin-4-yl)-4-fluorophenyl]-4,6-diphenylpyrimidine;4,6-diphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine;molecular iodine?

4-chloro-2,6-diphenylpyrimidine;4-(5-chloro-2-fluorophenyl)-2,6-diphenylpyrimidine;2-(5-chloro-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-(2,6-diphenylpyrimidin-4-yl)-4-fluorophenyl]-4,6-diphenylpyrimidine;4,6-diphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine;molecular iodine has a molecular weight of 2052.76 g/mol, XLogP of 28.80, 15 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-2,6-diphenylpyrimidine;4-(5-chloro-2-fluorophenyl)-2,6-diphenylpyrimidine;2-(5-chloro-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-(2,6-diphenylpyrimidin-4-yl)-4-fluorophenyl]-4,6-diphenylpyrimidine;4,6-diphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine;molecular iodine is sourced from PubChem (CID 158071179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).