4-chloro-2,6-diphenylpyrimidine;2-[10-(2,6-diphenylpyrimidin-4-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]-1,3,5-triazine

C96H70BClN10O2 — CID 157469781

About 4-chloro-2,6-diphenylpyrimidine;2-[10-(2,6-diphenylpyrimidin-4-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]-1,3,5-triazine

4-chloro-2,6-diphenylpyrimidine;2-[10-(2,6-diphenylpyrimidin-4-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]-1,3,5-triazine (PubChem CID 157469781) has the molecular formula C96H70BClN10O2 and a molecular weight of 1441.95 g/mol. Its IUPAC name is 4-chloro-2,6-diphenylpyrimidine;2-[10-(2,6-diphenylpyrimidin-4-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 4-chloro-2,6-diphenylpyrimidine;2-[10-(2,6-diphenylpyrimidin-4-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]-1,3,5-triazine
• PubChem CID: 157469781
• Molecular Formula: C96H70BClN10O2
• Molecular Weight: 1441.95 g/mol
• Exact Mass: 1440.55
• IUPAC Name: 4-chloro-2,6-diphenylpyrimidine;2-[10-(2,6-diphenylpyrimidin-4-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]-1,3,5-triazine
• SMILES: CC1(C)OB(c2c3ccccc3c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3ccccc23)OC1(C)C.Clc1cc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2cc(-c3c4ccccc4c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc34)nc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C45H29N5.C35H30BN3O2.C16H11ClN2/c1-5-17-30(18-6-1)38-29-39(47-42(46-38)31-19-7-2-8-20-31)40-34-25-13-15-27-36(34)41(37-28-16-14-26-35(37)40)45-49-43(32-21-9-3-10-22-32)48-44(50-45)33-23-11-4-12-24-33;1-34(2)35(3,4)41-36(40-34)30-27-21-13-11-19-25(27)29(26-20-12-14-22-28(26)30)33-38-31(23-15-7-5-8-16-23)37-32(39-33)24-17-9-6-10-18-24;17-15-11-14(12-7-3-1-4-8-12)18-16(19-15)13-9-5-2-6-10-13/h1-29H;5-22H,1-4H3;1-11H
• InChIKey: BUWYEMFWVZBKOC-UHFFFAOYSA-N
• XLogP: 22.91
• TPSA: 147.36 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1441.95
LogP ≤ 5	22.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,6-diphenylpyrimidine;2-[10-(2,6-diphenylpyrimidin-4-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]-1,3,5-triazine?

The IUPAC name of 4-chloro-2,6-diphenylpyrimidine;2-[10-(2,6-diphenylpyrimidin-4-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]-1,3,5-triazine (CID 157469781) is 4-chloro-2,6-diphenylpyrimidine;2-[10-(2,6-diphenylpyrimidin-4-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]-1,3,5-triazine.

What is the SMILES notation for 4-chloro-2,6-diphenylpyrimidine;2-[10-(2,6-diphenylpyrimidin-4-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]-1,3,5-triazine?

The canonical SMILES for 4-chloro-2,6-diphenylpyrimidine;2-[10-(2,6-diphenylpyrimidin-4-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]-1,3,5-triazine is CC1(C)OB(c2c3ccccc3c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3ccccc23)OC1(C)C.Clc1cc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2cc(-c3c4ccccc4c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc34)nc(-c3ccccc3)n2)cc1.

What is the InChIKey of 4-chloro-2,6-diphenylpyrimidine;2-[10-(2,6-diphenylpyrimidin-4-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]-1,3,5-triazine?

The InChIKey is BUWYEMFWVZBKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N5.C35H30BN3O2.C16H11ClN2/c1-5-17-30(18-6-1)38-29-39(47-42(46-38)31-19-7-2-8-20-31)40-34-25-13-15-27-36(34)41(37-28-16-14-26-35(37)40)45-49-43(32-21-9-3-10-22-32)48-44(50-45)33-23-11-4-12-24-33;1-34(2)35(3,4)41-36(40-34)30-27-21-13-11-19-25(27)29(26-20-12-14-22-28(26)30)33-38-31(23-15-7-5-8-16-23)37-32(39-33)24-17-9-6-10-18-24;17-15-11-14(12-7-3-1-4-8-12)18-16(19-15)13-9-5-2-6-10-13/h1-29H;5-22H,1-4H3;1-11H.

What are the key properties of 4-chloro-2,6-diphenylpyrimidine;2-[10-(2,6-diphenylpyrimidin-4-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]-1,3,5-triazine?

4-chloro-2,6-diphenylpyrimidine;2-[10-(2,6-diphenylpyrimidin-4-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]-1,3,5-triazine has a molecular weight of 1441.95 g/mol, XLogP of 22.91, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-2,6-diphenylpyrimidine;2-[10-(2,6-diphenylpyrimidin-4-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]-1,3,5-triazine is sourced from PubChem (CID 157469781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).