2-(3-chlorophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine

C100H74BClN10O2 — CID 163635366

About 2-(3-chlorophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine

2-(3-chlorophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine (PubChem CID 163635366) has the molecular formula C100H74BClN10O2 and a molecular weight of 1494.02 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine.

Molecular Properties

• Compound Name: 2-(3-chlorophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
• PubChem CID: 163635366
• Molecular Formula: C100H74BClN10O2
• Molecular Weight: 1494.02 g/mol
• Exact Mass: 1492.58
• IUPAC Name: 2-(3-chlorophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
• SMILES: CC1(C)OB(c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)OC1(C)C.Clc1cccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccccc4c3)n2)c1.c1ccc(-c2cc(-c3ccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccc7ccccc7c6)n5)c4)cc3)nc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C47H31N5.C28H27BN2O2.C25H16ClN3/c1-4-14-34(15-5-1)42-31-43(49-44(48-42)36-16-6-2-7-17-36)35-26-23-33(24-27-35)39-21-12-22-40(29-39)46-50-45(37-18-8-3-9-19-37)51-47(52-46)41-28-25-32-13-10-11-20-38(32)30-41;1-27(2)28(3,4)33-29(32-27)23-17-15-21(16-18-23)25-19-24(20-11-7-5-8-12-20)30-26(31-25)22-13-9-6-10-14-22;26-22-12-6-11-20(16-22)24-27-23(18-8-2-1-3-9-18)28-25(29-24)21-14-13-17-7-4-5-10-19(17)15-21/h1-31H;5-19H,1-4H3;1-16H
• InChIKey: HZPZERJBOGYOKM-UHFFFAOYSA-N
• XLogP: 23.94
• TPSA: 147.36 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1494.02
LogP ≤ 5	23.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine?

The IUPAC name of 2-(3-chlorophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine (CID 163635366) is 2-(3-chlorophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine.

What is the SMILES notation for 2-(3-chlorophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine?

The canonical SMILES for 2-(3-chlorophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine is CC1(C)OB(c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)OC1(C)C.Clc1cccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccccc4c3)n2)c1.c1ccc(-c2cc(-c3ccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccc7ccccc7c6)n5)c4)cc3)nc(-c3ccccc3)n2)cc1.

What is the InChIKey of 2-(3-chlorophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine?

The InChIKey is HZPZERJBOGYOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N5.C28H27BN2O2.C25H16ClN3/c1-4-14-34(15-5-1)42-31-43(49-44(48-42)36-16-6-2-7-17-36)35-26-23-33(24-27-35)39-21-12-22-40(29-39)46-50-45(37-18-8-3-9-19-37)51-47(52-46)41-28-25-32-13-10-11-20-38(32)30-41;1-27(2)28(3,4)33-29(32-27)23-17-15-21(16-18-23)25-19-24(20-11-7-5-8-12-20)30-26(31-25)22-13-9-6-10-14-22;26-22-12-6-11-20(16-22)24-27-23(18-8-2-1-3-9-18)28-25(29-24)21-14-13-17-7-4-5-10-19(17)15-21/h1-31H;5-19H,1-4H3;1-16H.

What are the key properties of 2-(3-chlorophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine?

2-(3-chlorophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine has a molecular weight of 1494.02 g/mol, XLogP of 23.94, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chlorophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine is sourced from PubChem (CID 163635366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).