(2-boronophenyl)boronic acid;5-bromo-2-chloropyridine;2-(3-bromophenyl)-5-(2,4,6-trimethylphenyl)pyridine;2-chloro-5-(2,4,6-trimethylphenyl)pyridine;platinum(2+);5-(2,4,6-trimethylphenyl)-2-[3-[2-[3-[5-(2,4,6-trimethylphenyl)-2-pyridinyl]benzene-2-id-1-yl]phenyl]benzene-2-id-1-yl]pyridine;5-(2,4,6-trimethylphenyl)-2-[3-[2-[3-[5-(2,4,6-trimethylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine

C137H121B2Br2Cl2N7O4Pt — CID 158166648

About (2-boronophenyl)boronic acid;5-bromo-2-chloropyridine;2-(3-bromophenyl)-5-(2,4,6-trimethylphenyl)pyridine;2-chloro-5-(2,4,6-trimethylphenyl)pyridine;platinum(2+);5-(2,4,6-trimethylphenyl)-2-[3-[2-[3-[5-(2,4,6-trimethylphenyl)-2-pyridinyl]benzene-2-id-1-yl]phenyl]benzene-2-id-1-yl]pyridine;5-(2,4,6-trimethylphenyl)-2-[3-[2-[3-[5-(2,4,6-trimethylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine

(2-boronophenyl)boronic acid;5-bromo-2-chloropyridine;2-(3-bromophenyl)-5-(2,4,6-trimethylphenyl)pyridine;2-chloro-5-(2,4,6-trimethylphenyl)pyridine;platinum(2+);5-(2,4,6-trimethylphenyl)-2-[3-[2-[3-[5-(2,4,6-trimethylphenyl)-2-pyridinyl]benzene-2-id-1-yl]phenyl]benzene-2-id-1-yl]pyridine;5-(2,4,6-trimethylphenyl)-2-[3-[2-[3-[5-(2,4,6-trimethylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine (PubChem CID 158166648) has the molecular formula C137H121B2Br2Cl2N7O4Pt and a molecular weight of 2376.94 g/mol. Its IUPAC name is (2-boronophenyl)boronic acid;5-bromo-2-chloropyridine;2-(3-bromophenyl)-5-(2,4,6-trimethylphenyl)pyridine;2-chloro-5-(2,4,6-trimethylphenyl)pyridine;platinum(2+);5-(2,4,6-trimethylphenyl)-2-[3-[2-[3-[5-(2,4,6-trimethylphenyl)-2-pyridinyl]benzene-2-id-1-yl]phenyl]benzene-2-id-1-yl]pyridine;5-(2,4,6-trimethylphenyl)-2-[3-[2-[3-[5-(2,4,6-trimethylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine.

Molecular Properties

• Compound Name: (2-boronophenyl)boronic acid;5-bromo-2-chloropyridine;2-(3-bromophenyl)-5-(2,4,6-trimethylphenyl)pyridine;2-chloro-5-(2,4,6-trimethylphenyl)pyridine;platinum(2+);5-(2,4,6-trimethylphenyl)-2-[3-[2-[3-[5-(2,4,6-trimethylphenyl)-2-pyridinyl]benzene-2-id-1-yl]phenyl]benzene-2-id-1-yl]pyridine;5-(2,4,6-trimethylphenyl)-2-[3-[2-[3-[5-(2,4,6-trimethylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine
• PubChem CID: 158166648
• Molecular Formula: C137H121B2Br2Cl2N7O4Pt
• Molecular Weight: 2376.94 g/mol
• Exact Mass: 2372.71
• IUPAC Name: (2-boronophenyl)boronic acid;5-bromo-2-chloropyridine;2-(3-bromophenyl)-5-(2,4,6-trimethylphenyl)pyridine;2-chloro-5-(2,4,6-trimethylphenyl)pyridine;platinum(2+);5-(2,4,6-trimethylphenyl)-2-[3-[2-[3-[5-(2,4,6-trimethylphenyl)-2-pyridinyl]benzene-2-id-1-yl]phenyl]benzene-2-id-1-yl]pyridine;5-(2,4,6-trimethylphenyl)-2-[3-[2-[3-[5-(2,4,6-trimethylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine
• SMILES: Cc1cc(C)c(-c2ccc(-c3[c-]c(-c4ccccc4-c4[c-]c(-c5ccc(-c6c(C)cc(C)cc6C)cn5)ccc4)ccc3)nc2)c(C)c1.Cc1cc(C)c(-c2ccc(-c3cccc(-c4ccccc4-c4cccc(-c5ccc(-c6c(C)cc(C)cc6C)cn5)c4)c3)nc2)c(C)c1.Cc1cc(C)c(-c2ccc(-c3cccc(Br)c3)nc2)c(C)c1.Cc1cc(C)c(-c2ccc(Cl)nc2)c(C)c1.Clc1ccc(Br)cn1.OB(O)c1ccccc1B(O)O.[Pt+2]
• InChI: InChI=1S/C46H40N2.C46H38N2.C20H18BrN.C14H14ClN.C6H8B2O4.C5H3BrClN.Pt/c2*1-29-21-31(3)45(32(4)22-29)39-17-19-43(47-27-39)37-13-9-11-35(25-37)41-15-7-8-16-42(41)36-12-10-14-38(26-36)44-20-18-40(28-48-44)46-33(5)23-30(2)24-34(46)6;1-13-9-14(2)20(15(3)10-13)17-7-8-19(22-12-17)16-5-4-6-18(21)11-16;1-9-6-10(2)14(11(3)7-9)12-4-5-13(15)16-8-12;9-7(10)5-3-1-2-4-6(5)8(11)12;6-4-1-2-5(7)8-3-4;/h7-28H,1-6H3;7-24,27-28H,1-6H3;4-12H,1-3H3;4-8H,1-3H3;1-4,9-12H;1-3H;/q;-2;;;;;+2
• InChIKey: OKLZGXKMBVGQQK-UHFFFAOYSA-N
• XLogP: 34.23
• TPSA: 171.15 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 17
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2376.94
LogP ≤ 5	34.23
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2-boronophenyl)boronic acid;5-bromo-2-chloropyridine;2-(3-bromophenyl)-5-(2,4,6-trimethylphenyl)pyridine;2-chloro-5-(2,4,6-trimethylphenyl)pyridine;platinum(2+);5-(2,4,6-trimethylphenyl)-2-[3-[2-[3-[5-(2,4,6-trimethylphenyl)-2-pyridinyl]benzene-2-id-1-yl]phenyl]benzene-2-id-1-yl]pyridine;5-(2,4,6-trimethylphenyl)-2-[3-[2-[3-[5-(2,4,6-trimethylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine?

The IUPAC name of (2-boronophenyl)boronic acid;5-bromo-2-chloropyridine;2-(3-bromophenyl)-5-(2,4,6-trimethylphenyl)pyridine;2-chloro-5-(2,4,6-trimethylphenyl)pyridine;platinum(2+);5-(2,4,6-trimethylphenyl)-2-[3-[2-[3-[5-(2,4,6-trimethylphenyl)-2-pyridinyl]benzene-2-id-1-yl]phenyl]benzene-2-id-1-yl]pyridine;5-(2,4,6-trimethylphenyl)-2-[3-[2-[3-[5-(2,4,6-trimethylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine (CID 158166648) is (2-boronophenyl)boronic acid;5-bromo-2-chloropyridine;2-(3-bromophenyl)-5-(2,4,6-trimethylphenyl)pyridine;2-chloro-5-(2,4,6-trimethylphenyl)pyridine;platinum(2+);5-(2,4,6-trimethylphenyl)-2-[3-[2-[3-[5-(2,4,6-trimethylphenyl)-2-pyridinyl]benzene-2-id-1-yl]phenyl]benzene-2-id-1-yl]pyridine;5-(2,4,6-trimethylphenyl)-2-[3-[2-[3-[5-(2,4,6-trimethylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine.

What is the SMILES notation for (2-boronophenyl)boronic acid;5-bromo-2-chloropyridine;2-(3-bromophenyl)-5-(2,4,6-trimethylphenyl)pyridine;2-chloro-5-(2,4,6-trimethylphenyl)pyridine;platinum(2+);5-(2,4,6-trimethylphenyl)-2-[3-[2-[3-[5-(2,4,6-trimethylphenyl)-2-pyridinyl]benzene-2-id-1-yl]phenyl]benzene-2-id-1-yl]pyridine;5-(2,4,6-trimethylphenyl)-2-[3-[2-[3-[5-(2,4,6-trimethylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine?

The canonical SMILES for (2-boronophenyl)boronic acid;5-bromo-2-chloropyridine;2-(3-bromophenyl)-5-(2,4,6-trimethylphenyl)pyridine;2-chloro-5-(2,4,6-trimethylphenyl)pyridine;platinum(2+);5-(2,4,6-trimethylphenyl)-2-[3-[2-[3-[5-(2,4,6-trimethylphenyl)-2-pyridinyl]benzene-2-id-1-yl]phenyl]benzene-2-id-1-yl]pyridine;5-(2,4,6-trimethylphenyl)-2-[3-[2-[3-[5-(2,4,6-trimethylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine is Cc1cc(C)c(-c2ccc(-c3[c-]c(-c4ccccc4-c4[c-]c(-c5ccc(-c6c(C)cc(C)cc6C)cn5)ccc4)ccc3)nc2)c(C)c1.Cc1cc(C)c(-c2ccc(-c3cccc(-c4ccccc4-c4cccc(-c5ccc(-c6c(C)cc(C)cc6C)cn5)c4)c3)nc2)c(C)c1.Cc1cc(C)c(-c2ccc(-c3cccc(Br)c3)nc2)c(C)c1.Cc1cc(C)c(-c2ccc(Cl)nc2)c(C)c1.Clc1ccc(Br)cn1.OB(O)c1ccccc1B(O)O.[Pt+2].

What is the InChIKey of (2-boronophenyl)boronic acid;5-bromo-2-chloropyridine;2-(3-bromophenyl)-5-(2,4,6-trimethylphenyl)pyridine;2-chloro-5-(2,4,6-trimethylphenyl)pyridine;platinum(2+);5-(2,4,6-trimethylphenyl)-2-[3-[2-[3-[5-(2,4,6-trimethylphenyl)-2-pyridinyl]benzene-2-id-1-yl]phenyl]benzene-2-id-1-yl]pyridine;5-(2,4,6-trimethylphenyl)-2-[3-[2-[3-[5-(2,4,6-trimethylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine?

The InChIKey is OKLZGXKMBVGQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H40N2.C46H38N2.C20H18BrN.C14H14ClN.C6H8B2O4.C5H3BrClN.Pt/c2*1-29-21-31(3)45(32(4)22-29)39-17-19-43(47-27-39)37-13-9-11-35(25-37)41-15-7-8-16-42(41)36-12-10-14-38(26-36)44-20-18-40(28-48-44)46-33(5)23-30(2)24-34(46)6;1-13-9-14(2)20(15(3)10-13)17-7-8-19(22-12-17)16-5-4-6-18(21)11-16;1-9-6-10(2)14(11(3)7-9)12-4-5-13(15)16-8-12;9-7(10)5-3-1-2-4-6(5)8(11)12;6-4-1-2-5(7)8-3-4;/h7-28H,1-6H3;7-24,27-28H,1-6H3;4-12H,1-3H3;4-8H,1-3H3;1-4,9-12H;1-3H;/q;-2;;;;;+2.

What are the key properties of (2-boronophenyl)boronic acid;5-bromo-2-chloropyridine;2-(3-bromophenyl)-5-(2,4,6-trimethylphenyl)pyridine;2-chloro-5-(2,4,6-trimethylphenyl)pyridine;platinum(2+);5-(2,4,6-trimethylphenyl)-2-[3-[2-[3-[5-(2,4,6-trimethylphenyl)-2-pyridinyl]benzene-2-id-1-yl]phenyl]benzene-2-id-1-yl]pyridine;5-(2,4,6-trimethylphenyl)-2-[3-[2-[3-[5-(2,4,6-trimethylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine?

(2-boronophenyl)boronic acid;5-bromo-2-chloropyridine;2-(3-bromophenyl)-5-(2,4,6-trimethylphenyl)pyridine;2-chloro-5-(2,4,6-trimethylphenyl)pyridine;platinum(2+);5-(2,4,6-trimethylphenyl)-2-[3-[2-[3-[5-(2,4,6-trimethylphenyl)-2-pyridinyl]benzene-2-id-1-yl]phenyl]benzene-2-id-1-yl]pyridine;5-(2,4,6-trimethylphenyl)-2-[3-[2-[3-[5-(2,4,6-trimethylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine has a molecular weight of 2376.94 g/mol, XLogP of 34.23, 17 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2-boronophenyl)boronic acid;5-bromo-2-chloropyridine;2-(3-bromophenyl)-5-(2,4,6-trimethylphenyl)pyridine;2-chloro-5-(2,4,6-trimethylphenyl)pyridine;platinum(2+);5-(2,4,6-trimethylphenyl)-2-[3-[2-[3-[5-(2,4,6-trimethylphenyl)-2-pyridinyl]benzene-2-id-1-yl]phenyl]benzene-2-id-1-yl]pyridine;5-(2,4,6-trimethylphenyl)-2-[3-[2-[3-[5-(2,4,6-trimethylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine is sourced from PubChem (CID 158166648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).