2-[4-(3,5-ditert-butylphenyl)-6-[3-[(4,6-diphenyl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(5-phenyl-1-benzofuran-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(6-phenyl-1-benzofuran-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(4-phenyl-6-propan-2-yl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum

C209H186B4N8O6Pt4S2-4 — CID 158525826

About 2-[4-(3,5-ditert-butylphenyl)-6-[3-[(4,6-diphenyl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(5-phenyl-1-benzofuran-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(6-phenyl-1-benzofuran-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(4-phenyl-6-propan-2-yl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum

2-[4-(3,5-ditert-butylphenyl)-6-[3-[(4,6-diphenyl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(5-phenyl-1-benzofuran-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(6-phenyl-1-benzofuran-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(4-phenyl-6-propan-2-yl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum (PubChem CID 158525826) has the molecular formula C209H186B4N8O6Pt4S2-4 and a molecular weight of 3793.53 g/mol. Its IUPAC name is 2-[4-(3,5-ditert-butylphenyl)-6-[3-[(4,6-diphenyl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(5-phenyl-1-benzofuran-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(6-phenyl-1-benzofuran-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(4-phenyl-6-propan-2-yl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[4-(3,5-ditert-butylphenyl)-6-[3-[(4,6-diphenyl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(5-phenyl-1-benzofuran-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(6-phenyl-1-benzofuran-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(4-phenyl-6-propan-2-yl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
• PubChem CID: 158525826
• Molecular Formula: C209H186B4N8O6Pt4S2-4
• Molecular Weight: 3793.53 g/mol
• Exact Mass: 3791.29
• IUPAC Name: 2-[4-(3,5-ditert-butylphenyl)-6-[3-[(4,6-diphenyl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(5-phenyl-1-benzofuran-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(6-phenyl-1-benzofuran-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(4-phenyl-6-propan-2-yl-1-benzothiophen-7-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)cc(-c5ccccc5)c5ccsc45)ccc3)nc(-c3ccccc3O)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cc(-c3[c-]c(B(c4ccccn4)c4c(-c5ccccc5)ccc5ccoc45)ccc3)nc(-c3ccccc3O)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cc(-c3[c-]c(B(c4ccccn4)c4cc(-c5ccccc5)cc5ccoc45)ccc3)nc(-c3ccccc3O)c2)cc(C(C)(C)C)c1.CC(C)c1cc(-c2ccccc2)c2ccsc2c1B(c1[c-]c(-c2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc(-c3ccccc3O)n2)ccc1)c1ccccn1.[Pt].[Pt].[Pt].[Pt]
• InChI: InChI=1S/C56H48BN2OS.C53H50BN2OS.2C50H44BN2O2.4Pt/c1-55(2,3)42-30-40(31-43(35-42)56(4,5)6)41-33-49(59-50(34-41)46-24-13-14-25-51(46)60)39-22-17-23-44(32-39)57(52-26-15-16-28-58-52)53-48(38-20-11-8-12-21-38)36-47(37-18-9-7-10-19-37)45-27-29-61-54(45)53;1-34(2)44-33-45(35-17-10-9-11-18-35)42-24-26-58-51(42)50(44)54(49-23-14-15-25-55-49)41-20-16-19-36(29-41)46-30-38(31-47(56-46)43-21-12-13-22-48(43)57)37-27-39(52(3,4)5)32-40(28-37)53(6,7)8;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;;;;/h7-31,33-36,60H,1-6H3;9-28,30-34,57H,1-8H3;7-28,30-32,54H,1-6H3;7-27,29-32,54H,1-6H3;;;;/q4*-1
• InChIKey: UJPFXQURQRHNHI-UHFFFAOYSA-N
• XLogP: 45.75
• TPSA: 210.32 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 30
• Heavy Atoms: 233
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3793.53
LogP ≤ 5	45.75
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

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-[4-(3,5-ditert-butylphenyl)-6-[3-[(4,6-diphenyl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(5-phenyl-1-benzofuran-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(6-phenyl-1-benzofuran-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(4-phenyl-6-propan-2-yl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum?

The IUPAC name of 2-[4-(3,5-ditert-butylphenyl)-6-[3-[(4,6-diphenyl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(5-phenyl-1-benzofuran-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(6-phenyl-1-benzofuran-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(4-phenyl-6-propan-2-yl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum (CID 158525826) is 2-[4-(3,5-ditert-butylphenyl)-6-[3-[(4,6-diphenyl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(5-phenyl-1-benzofuran-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(6-phenyl-1-benzofuran-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(4-phenyl-6-propan-2-yl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum.

What is the SMILES notation for 2-[4-(3,5-ditert-butylphenyl)-6-[3-[(4,6-diphenyl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(5-phenyl-1-benzofuran-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(6-phenyl-1-benzofuran-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(4-phenyl-6-propan-2-yl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum?

The canonical SMILES for 2-[4-(3,5-ditert-butylphenyl)-6-[3-[(4,6-diphenyl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(5-phenyl-1-benzofuran-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(6-phenyl-1-benzofuran-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(4-phenyl-6-propan-2-yl-1-benzothiophen-7-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)cc(-c5ccccc5)c5ccsc45)ccc3)nc(-c3ccccc3O)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cc(-c3[c-]c(B(c4ccccn4)c4c(-c5ccccc5)ccc5ccoc45)ccc3)nc(-c3ccccc3O)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cc(-c3[c-]c(B(c4ccccn4)c4cc(-c5ccccc5)cc5ccoc45)ccc3)nc(-c3ccccc3O)c2)cc(C(C)(C)C)c1.CC(C)c1cc(-c2ccccc2)c2ccsc2c1B(c1[c-]c(-c2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc(-c3ccccc3O)n2)ccc1)c1ccccn1.[Pt].[Pt].[Pt].[Pt].

What is the InChIKey of 2-[4-(3,5-ditert-butylphenyl)-6-[3-[(4,6-diphenyl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(5-phenyl-1-benzofuran-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(6-phenyl-1-benzofuran-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(4-phenyl-6-propan-2-yl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum?

The InChIKey is UJPFXQURQRHNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H48BN2OS.C53H50BN2OS.2C50H44BN2O2.4Pt/c1-55(2,3)42-30-40(31-43(35-42)56(4,5)6)41-33-49(59-50(34-41)46-24-13-14-25-51(46)60)39-22-17-23-44(32-39)57(52-26-15-16-28-58-52)53-48(38-20-11-8-12-21-38)36-47(37-18-9-7-10-19-37)45-27-29-61-54(45)53;1-34(2)44-33-45(35-17-10-9-11-18-35)42-24-26-58-51(42)50(44)54(49-23-14-15-25-55-49)41-20-16-19-36(29-41)46-30-38(31-47(56-46)43-21-12-13-22-48(43)57)37-27-39(52(3,4)5)32-40(28-37)53(6,7)8;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;;;;/h7-31,33-36,60H,1-6H3;9-28,30-34,57H,1-8H3;7-28,30-32,54H,1-6H3;7-27,29-32,54H,1-6H3;;;;/q4*-1;;;;.

What are the key properties of 2-[4-(3,5-ditert-butylphenyl)-6-[3-[(4,6-diphenyl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(5-phenyl-1-benzofuran-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(6-phenyl-1-benzofuran-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(4-phenyl-6-propan-2-yl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum?

2-[4-(3,5-ditert-butylphenyl)-6-[3-[(4,6-diphenyl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(5-phenyl-1-benzofuran-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(6-phenyl-1-benzofuran-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(4-phenyl-6-propan-2-yl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum has a molecular weight of 3793.53 g/mol, XLogP of 45.75, 30 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(3,5-ditert-butylphenyl)-6-[3-[(4,6-diphenyl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(5-phenyl-1-benzofuran-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(6-phenyl-1-benzofuran-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(4-phenyl-6-propan-2-yl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum is sourced from PubChem (CID 158525826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).