2-(3-bromo-5-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;5-bromo-2-methylpyridine;2-[3-chloro-5-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;(7,7-dimethylbenzo[c]fluoren-5-yl)boronic acid;2-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)-5-(6-methyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine

C178H138B2Br2Cl2N14O4 — CID 159525573

About 2-(3-bromo-5-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;5-bromo-2-methylpyridine;2-[3-chloro-5-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;(7,7-dimethylbenzo[c]fluoren-5-yl)boronic acid;2-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)-5-(6-methyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine

2-(3-bromo-5-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;5-bromo-2-methylpyridine;2-[3-chloro-5-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;(7,7-dimethylbenzo[c]fluoren-5-yl)boronic acid;2-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)-5-(6-methyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 159525573) has the molecular formula C178H138B2Br2Cl2N14O4 and a molecular weight of 2789.49 g/mol. Its IUPAC name is 2-(3-bromo-5-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;5-bromo-2-methylpyridine;2-[3-chloro-5-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;(7,7-dimethylbenzo[c]fluoren-5-yl)boronic acid;2-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)-5-(6-methyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(3-bromo-5-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;5-bromo-2-methylpyridine;2-[3-chloro-5-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;(7,7-dimethylbenzo[c]fluoren-5-yl)boronic acid;2-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)-5-(6-methyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
• PubChem CID: 159525573
• Molecular Formula: C178H138B2Br2Cl2N14O4
• Molecular Weight: 2789.49 g/mol
• Exact Mass: 2784.90
• IUPAC Name: 2-(3-bromo-5-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;5-bromo-2-methylpyridine;2-[3-chloro-5-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;(7,7-dimethylbenzo[c]fluoren-5-yl)boronic acid;2-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)-5-(6-methyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
• SMILES: CC1(C)c2ccccc2-c2c1cc(-c1cc(B3OC(C)(C)C(C)(C)O3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c1)c1ccccc21.CC1(C)c2ccccc2-c2c1cc(-c1cc(Cl)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c1)c1ccccc21.CC1(C)c2ccccc2-c2c1cc(B(O)O)c1ccccc21.Cc1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cc4c(c5ccccc35)-c3ccccc3C4(C)C)c2)cn1.Cc1ccc(Br)cn1.Clc1cc(Br)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
• InChI: InChI=1S/C46H40BN3O2.C46H34N4.C40H28ClN3.C21H13BrClN3.C19H17BO2.C6H6BrN/c1-44(2)38-24-16-15-23-36(38)40-35-22-14-13-21-34(35)37(28-39(40)44)31-25-32(27-33(26-31)47-51-45(3,4)46(5,6)52-47)43-49-41(29-17-9-7-10-18-29)48-42(50-43)30-19-11-8-12-20-30;1-29-22-23-32(28-47-29)33-24-34(39-27-41-42(37-19-11-10-18-36(37)39)38-20-12-13-21-40(38)46(41,2)3)26-35(25-33)45-49-43(30-14-6-4-7-15-30)48-44(50-45)31-16-8-5-9-17-31;1-40(2)34-20-12-11-19-32(34)36-31-18-10-9-17-30(31)33(24-35(36)40)27-21-28(23-29(41)22-27)39-43-37(25-13-5-3-6-14-25)42-38(44-39)26-15-7-4-8-16-26;22-17-11-16(12-18(23)13-17)21-25-19(14-7-3-1-4-8-14)24-20(26-21)15-9-5-2-6-10-15;1-19(2)15-10-6-5-9-14(15)18-13-8-4-3-7-12(13)17(20(21)22)11-16(18)19;1-5-2-3-6(7)4-8-5/h7-28H,1-6H3;4-28H,1-3H3;3-24H,1-2H3;1-13H;3-11,21-22H,1-2H3;2-4H,1H3
• InChIKey: MCIKUBPBQWZTJU-UHFFFAOYSA-N
• XLogP: 43.59
• TPSA: 239.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 18
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2789.49
LogP ≤ 5	43.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;5-bromo-2-methylpyridine;2-[3-chloro-5-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;(7,7-dimethylbenzo[c]fluoren-5-yl)boronic acid;2-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)-5-(6-methyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?

The IUPAC name of 2-(3-bromo-5-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;5-bromo-2-methylpyridine;2-[3-chloro-5-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;(7,7-dimethylbenzo[c]fluoren-5-yl)boronic acid;2-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)-5-(6-methyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (CID 159525573) is 2-(3-bromo-5-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;5-bromo-2-methylpyridine;2-[3-chloro-5-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;(7,7-dimethylbenzo[c]fluoren-5-yl)boronic acid;2-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)-5-(6-methyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.

What is the SMILES notation for 2-(3-bromo-5-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;5-bromo-2-methylpyridine;2-[3-chloro-5-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;(7,7-dimethylbenzo[c]fluoren-5-yl)boronic acid;2-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)-5-(6-methyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?

The canonical SMILES for 2-(3-bromo-5-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;5-bromo-2-methylpyridine;2-[3-chloro-5-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;(7,7-dimethylbenzo[c]fluoren-5-yl)boronic acid;2-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)-5-(6-methyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2c1cc(-c1cc(B3OC(C)(C)C(C)(C)O3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c1)c1ccccc21.CC1(C)c2ccccc2-c2c1cc(-c1cc(Cl)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c1)c1ccccc21.CC1(C)c2ccccc2-c2c1cc(B(O)O)c1ccccc21.Cc1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cc4c(c5ccccc35)-c3ccccc3C4(C)C)c2)cn1.Cc1ccc(Br)cn1.Clc1cc(Br)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.

What is the InChIKey of 2-(3-bromo-5-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;5-bromo-2-methylpyridine;2-[3-chloro-5-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;(7,7-dimethylbenzo[c]fluoren-5-yl)boronic acid;2-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)-5-(6-methyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?

The InChIKey is MCIKUBPBQWZTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H40BN3O2.C46H34N4.C40H28ClN3.C21H13BrClN3.C19H17BO2.C6H6BrN/c1-44(2)38-24-16-15-23-36(38)40-35-22-14-13-21-34(35)37(28-39(40)44)31-25-32(27-33(26-31)47-51-45(3,4)46(5,6)52-47)43-49-41(29-17-9-7-10-18-29)48-42(50-43)30-19-11-8-12-20-30;1-29-22-23-32(28-47-29)33-24-34(39-27-41-42(37-19-11-10-18-36(37)39)38-20-12-13-21-40(38)46(41,2)3)26-35(25-33)45-49-43(30-14-6-4-7-15-30)48-44(50-45)31-16-8-5-9-17-31;1-40(2)34-20-12-11-19-32(34)36-31-18-10-9-17-30(31)33(24-35(36)40)27-21-28(23-29(41)22-27)39-43-37(25-13-5-3-6-14-25)42-38(44-39)26-15-7-4-8-16-26;22-17-11-16(12-18(23)13-17)21-25-19(14-7-3-1-4-8-14)24-20(26-21)15-9-5-2-6-10-15;1-19(2)15-10-6-5-9-14(15)18-13-8-4-3-7-12(13)17(20(21)22)11-16(18)19;1-5-2-3-6(7)4-8-5/h7-28H,1-6H3;4-28H,1-3H3;3-24H,1-2H3;1-13H;3-11,21-22H,1-2H3;2-4H,1H3.

What are the key properties of 2-(3-bromo-5-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;5-bromo-2-methylpyridine;2-[3-chloro-5-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;(7,7-dimethylbenzo[c]fluoren-5-yl)boronic acid;2-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)-5-(6-methyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?

2-(3-bromo-5-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;5-bromo-2-methylpyridine;2-[3-chloro-5-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;(7,7-dimethylbenzo[c]fluoren-5-yl)boronic acid;2-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)-5-(6-methyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 2789.49 g/mol, XLogP of 43.59, 18 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-bromo-5-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;5-bromo-2-methylpyridine;2-[3-chloro-5-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;(7,7-dimethylbenzo[c]fluoren-5-yl)boronic acid;2-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)-5-(6-methyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 159525573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).