2-[6-[3-[[3-(4-tert-butyl-2,6-dimethylphenyl)phenyl]-pyridin-2-ylboranyl]benzene-2-id-1-yl]-4-(2-methylpropyl)-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(5-phenyl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(6-phenyl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(9-phenylcarbazol-4-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum

C198H179B4N9O4Pt4S2-4 — CID 157347856

About 2-[6-[3-[[3-(4-tert-butyl-2,6-dimethylphenyl)phenyl]-pyridin-2-ylboranyl]benzene-2-id-1-yl]-4-(2-methylpropyl)-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(5-phenyl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(6-phenyl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(9-phenylcarbazol-4-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum

2-[6-[3-[[3-(4-tert-butyl-2,6-dimethylphenyl)phenyl]-pyridin-2-ylboranyl]benzene-2-id-1-yl]-4-(2-methylpropyl)-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(5-phenyl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(6-phenyl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(9-phenylcarbazol-4-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum (PubChem CID 157347856) has the molecular formula C198H179B4N9O4Pt4S2-4 and a molecular weight of 3636.36 g/mol. Its IUPAC name is 2-[6-[3-[[3-(4-tert-butyl-2,6-dimethylphenyl)phenyl]-pyridin-2-ylboranyl]benzene-2-id-1-yl]-4-(2-methylpropyl)-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(5-phenyl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(6-phenyl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(9-phenylcarbazol-4-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[6-[3-[[3-(4-tert-butyl-2,6-dimethylphenyl)phenyl]-pyridin-2-ylboranyl]benzene-2-id-1-yl]-4-(2-methylpropyl)-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(5-phenyl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(6-phenyl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(9-phenylcarbazol-4-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
• PubChem CID: 157347856
• Molecular Formula: C198H179B4N9O4Pt4S2-4
• Molecular Weight: 3636.36 g/mol
• Exact Mass: 3634.25
• IUPAC Name: 2-[6-[3-[[3-(4-tert-butyl-2,6-dimethylphenyl)phenyl]-pyridin-2-ylboranyl]benzene-2-id-1-yl]-4-(2-methylpropyl)-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(5-phenyl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(6-phenyl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(9-phenylcarbazol-4-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
• SMILES: CC(C)(C)c1cc(-c2cc(-c3[c-]c(B(c4ccccn4)c4c(-c5ccccc5)ccc5ccsc45)ccc3)nc(-c3ccccc3O)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cc(-c3[c-]c(B(c4ccccn4)c4cc(-c5ccccc5)cc5ccsc45)ccc3)nc(-c3ccccc3O)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cc(-c3[c-]c(B(c4ccccn4)c4cccc5c4c4ccccc4n5-c4ccccc4)ccc3)nc(-c3ccccc3O)c2)cc(C(C)(C)C)c1.Cc1cc(C(C)(C)C)cc(C)c1-c1cccc(B(c2[c-]c(-c3cc(CC(C)C)cc(-c4ccccc4O)n3)ccc2)c2ccccn2)c1.[Pt].[Pt].[Pt].[Pt]
• InChI: InChI=1S/C54H47BN3O.2C50H44BN2OS.C44H44BN2O.4Pt/c1-53(2,3)39-30-37(31-40(35-39)54(4,5)6)38-33-46(57-47(34-38)43-22-11-13-27-50(43)59)36-18-16-19-41(32-36)55(51-28-14-15-29-56-51)45-24-17-26-49-52(45)44-23-10-12-25-48(44)58(49)42-20-8-7-9-21-42;1-49(2,3)38-27-36(28-39(32-38)50(4,5)6)37-30-43(53-44(31-37)42-19-10-11-20-45(42)54)35-17-14-18-40(29-35)51(46-21-12-13-25-52-46)47-41(33-15-8-7-9-16-33)23-22-34-24-26-55-48(34)47;1-49(2,3)39-26-37(27-40(32-39)50(4,5)6)38-30-44(53-45(31-38)42-19-10-11-20-46(42)54)34-17-14-18-41(28-34)51(47-21-12-13-23-52-47)43-29-36(33-15-8-7-9-16-33)25-35-22-24-55-48(35)43;1-29(2)22-32-25-39(47-40(26-32)38-18-8-9-19-41(38)48)33-14-12-16-36(27-33)45(42-20-10-11-21-46-42)37-17-13-15-34(28-37)43-30(3)23-35(24-31(43)4)44(5,6)7;;;;/h7-31,33-35,59H,1-6H3;7-28,30-32,54H,1-6H3;7-27,29-32,54H,1-6H3;8-21,23-26,28-29,48H,22H2,1-7H3;;;;/q4*-1
• InChIKey: SRMIGMNYGGXGGP-UHFFFAOYSA-N
• XLogP: 41.75
• TPSA: 188.97 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 29
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3636.36
LogP ≤ 5	41.75
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'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-[6-[3-[[3-(4-tert-butyl-2,6-dimethylphenyl)phenyl]-pyridin-2-ylboranyl]benzene-2-id-1-yl]-4-(2-methylpropyl)-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(5-phenyl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(6-phenyl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(9-phenylcarbazol-4-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum?

The IUPAC name of 2-[6-[3-[[3-(4-tert-butyl-2,6-dimethylphenyl)phenyl]-pyridin-2-ylboranyl]benzene-2-id-1-yl]-4-(2-methylpropyl)-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(5-phenyl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(6-phenyl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(9-phenylcarbazol-4-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum (CID 157347856) is 2-[6-[3-[[3-(4-tert-butyl-2,6-dimethylphenyl)phenyl]-pyridin-2-ylboranyl]benzene-2-id-1-yl]-4-(2-methylpropyl)-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(5-phenyl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(6-phenyl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(9-phenylcarbazol-4-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum.

What is the SMILES notation for 2-[6-[3-[[3-(4-tert-butyl-2,6-dimethylphenyl)phenyl]-pyridin-2-ylboranyl]benzene-2-id-1-yl]-4-(2-methylpropyl)-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(5-phenyl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(6-phenyl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(9-phenylcarbazol-4-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum?

The canonical SMILES for 2-[6-[3-[[3-(4-tert-butyl-2,6-dimethylphenyl)phenyl]-pyridin-2-ylboranyl]benzene-2-id-1-yl]-4-(2-methylpropyl)-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(5-phenyl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(6-phenyl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(9-phenylcarbazol-4-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum is CC(C)(C)c1cc(-c2cc(-c3[c-]c(B(c4ccccn4)c4c(-c5ccccc5)ccc5ccsc45)ccc3)nc(-c3ccccc3O)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cc(-c3[c-]c(B(c4ccccn4)c4cc(-c5ccccc5)cc5ccsc45)ccc3)nc(-c3ccccc3O)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cc(-c3[c-]c(B(c4ccccn4)c4cccc5c4c4ccccc4n5-c4ccccc4)ccc3)nc(-c3ccccc3O)c2)cc(C(C)(C)C)c1.Cc1cc(C(C)(C)C)cc(C)c1-c1cccc(B(c2[c-]c(-c3cc(CC(C)C)cc(-c4ccccc4O)n3)ccc2)c2ccccn2)c1.[Pt].[Pt].[Pt].[Pt].

What is the InChIKey of 2-[6-[3-[[3-(4-tert-butyl-2,6-dimethylphenyl)phenyl]-pyridin-2-ylboranyl]benzene-2-id-1-yl]-4-(2-methylpropyl)-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(5-phenyl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(6-phenyl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(9-phenylcarbazol-4-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum?

The InChIKey is SRMIGMNYGGXGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H47BN3O.2C50H44BN2OS.C44H44BN2O.4Pt/c1-53(2,3)39-30-37(31-40(35-39)54(4,5)6)38-33-46(57-47(34-38)43-22-11-13-27-50(43)59)36-18-16-19-41(32-36)55(51-28-14-15-29-56-51)45-24-17-26-49-52(45)44-23-10-12-25-48(44)58(49)42-20-8-7-9-21-42;1-49(2,3)38-27-36(28-39(32-38)50(4,5)6)37-30-43(53-44(31-37)42-19-10-11-20-45(42)54)35-17-14-18-40(29-35)51(46-21-12-13-25-52-46)47-41(33-15-8-7-9-16-33)23-22-34-24-26-55-48(34)47;1-49(2,3)39-26-37(27-40(32-39)50(4,5)6)38-30-44(53-45(31-38)42-19-10-11-20-46(42)54)34-17-14-18-41(28-34)51(47-21-12-13-23-52-47)43-29-36(33-15-8-7-9-16-33)25-35-22-24-55-48(35)43;1-29(2)22-32-25-39(47-40(26-32)38-18-8-9-19-41(38)48)33-14-12-16-36(27-33)45(42-20-10-11-21-46-42)37-17-13-15-34(28-37)43-30(3)23-35(24-31(43)4)44(5,6)7;;;;/h7-31,33-35,59H,1-6H3;7-28,30-32,54H,1-6H3;7-27,29-32,54H,1-6H3;8-21,23-26,28-29,48H,22H2,1-7H3;;;;/q4*-1;;;;.

What are the key properties of 2-[6-[3-[[3-(4-tert-butyl-2,6-dimethylphenyl)phenyl]-pyridin-2-ylboranyl]benzene-2-id-1-yl]-4-(2-methylpropyl)-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(5-phenyl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(6-phenyl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(9-phenylcarbazol-4-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum?

2-[6-[3-[[3-(4-tert-butyl-2,6-dimethylphenyl)phenyl]-pyridin-2-ylboranyl]benzene-2-id-1-yl]-4-(2-methylpropyl)-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(5-phenyl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(6-phenyl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(9-phenylcarbazol-4-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum has a molecular weight of 3636.36 g/mol, XLogP of 41.75, 29 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[3-[[3-(4-tert-butyl-2,6-dimethylphenyl)phenyl]-pyridin-2-ylboranyl]benzene-2-id-1-yl]-4-(2-methylpropyl)-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(5-phenyl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(6-phenyl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(9-phenylcarbazol-4-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum is sourced from PubChem (CID 157347856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).