4-tert-butyl-2-[8-methyl-3-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-4H-benzo[b][1]benzoborol-4-id-5-yl]pyridine;2-[3-deuterio-5-(8-deuterio-5-pyridin-2-yl-4H-benzo[b]phosphindol-4-id-3-yl)benzene-6-id-1-yl]oxy-4-(trifluoromethyl)pyridine;2-[8-deuterio-3-(3-deuterio-5-pyridin-2-yloxybenzene-6-id-1-yl)-4H-benzo[b][1]benzoborol-4-id-5-yl]-4-methylpyridine;N,N-dimethyl-2-[3-methyl-5-(8-methyl-5-pyridin-2-yl-4H-benzo[b]phosphindol-4-id-3-yl)benzene-6-id-1-yl]oxypyridin-4-amine;bis(4-methyl-2-[8-methyl-3-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-4H-benzo[b][1]benzoborol-4-id-5-yl]pyridine);hexakis(platinum(2+))

C186H133B4F6N13O6P2Pt6 — CID 158171308

About 4-tert-butyl-2-[8-methyl-3-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-4H-benzo[b][1]benzoborol-4-id-5-yl]pyridine;2-[3-deuterio-5-(8-deuterio-5-pyridin-2-yl-4H-benzo[b]phosphindol-4-id-3-yl)benzene-6-id-1-yl]oxy-4-(trifluoromethyl)pyridine;2-[8-deuterio-3-(3-deuterio-5-pyridin-2-yloxybenzene-6-id-1-yl)-4H-benzo[b][1]benzoborol-4-id-5-yl]-4-methylpyridine;N,N-dimethyl-2-[3-methyl-5-(8-methyl-5-pyridin-2-yl-4H-benzo[b]phosphindol-4-id-3-yl)benzene-6-id-1-yl]oxypyridin-4-amine;bis(4-methyl-2-[8-methyl-3-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-4H-benzo[b][1]benzoborol-4-id-5-yl]pyridine);hexakis(platinum(2+))

4-tert-butyl-2-[8-methyl-3-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-4H-benzo[b][1]benzoborol-4-id-5-yl]pyridine;2-[3-deuterio-5-(8-deuterio-5-pyridin-2-yl-4H-benzo[b]phosphindol-4-id-3-yl)benzene-6-id-1-yl]oxy-4-(trifluoromethyl)pyridine;2-[8-deuterio-3-(3-deuterio-5-pyridin-2-yloxybenzene-6-id-1-yl)-4H-benzo[b][1]benzoborol-4-id-5-yl]-4-methylpyridine;N,N-dimethyl-2-[3-methyl-5-(8-methyl-5-pyridin-2-yl-4H-benzo[b]phosphindol-4-id-3-yl)benzene-6-id-1-yl]oxypyridin-4-amine;bis(4-methyl-2-[8-methyl-3-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-4H-benzo[b][1]benzoborol-4-id-5-yl]pyridine);hexakis(platinum(2+)) (PubChem CID 158171308) has the molecular formula C186H133B4F6N13O6P2Pt6 and a molecular weight of 4039.87 g/mol. Its IUPAC name is 4-tert-butyl-2-[8-methyl-3-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-4H-benzo[b][1]benzoborol-4-id-5-yl]pyridine;2-[3-deuterio-5-(8-deuterio-5-pyridin-2-yl-4H-benzo[b]phosphindol-4-id-3-yl)benzene-6-id-1-yl]oxy-4-(trifluoromethyl)pyridine;2-[8-deuterio-3-(3-deuterio-5-pyridin-2-yloxybenzene-6-id-1-yl)-4H-benzo[b][1]benzoborol-4-id-5-yl]-4-methylpyridine;N,N-dimethyl-2-[3-methyl-5-(8-methyl-5-pyridin-2-yl-4H-benzo[b]phosphindol-4-id-3-yl)benzene-6-id-1-yl]oxypyridin-4-amine;bis(4-methyl-2-[8-methyl-3-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-4H-benzo[b][1]benzoborol-4-id-5-yl]pyridine);hexakis(platinum(2+)).

Molecular Properties

• Compound Name: 4-tert-butyl-2-[8-methyl-3-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-4H-benzo[b][1]benzoborol-4-id-5-yl]pyridine;2-[3-deuterio-5-(8-deuterio-5-pyridin-2-yl-4H-benzo[b]phosphindol-4-id-3-yl)benzene-6-id-1-yl]oxy-4-(trifluoromethyl)pyridine;2-[8-deuterio-3-(3-deuterio-5-pyridin-2-yloxybenzene-6-id-1-yl)-4H-benzo[b][1]benzoborol-4-id-5-yl]-4-methylpyridine;N,N-dimethyl-2-[3-methyl-5-(8-methyl-5-pyridin-2-yl-4H-benzo[b]phosphindol-4-id-3-yl)benzene-6-id-1-yl]oxypyridin-4-amine;bis(4-methyl-2-[8-methyl-3-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-4H-benzo[b][1]benzoborol-4-id-5-yl]pyridine);hexakis(platinum(2+))
• PubChem CID: 158171308
• Molecular Formula: C186H133B4F6N13O6P2Pt6
• Molecular Weight: 4039.87 g/mol
• Exact Mass: 4037.84
• IUPAC Name: 4-tert-butyl-2-[8-methyl-3-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-4H-benzo[b][1]benzoborol-4-id-5-yl]pyridine;2-[3-deuterio-5-(8-deuterio-5-pyridin-2-yl-4H-benzo[b]phosphindol-4-id-3-yl)benzene-6-id-1-yl]oxy-4-(trifluoromethyl)pyridine;2-[8-deuterio-3-(3-deuterio-5-pyridin-2-yloxybenzene-6-id-1-yl)-4H-benzo[b][1]benzoborol-4-id-5-yl]-4-methylpyridine;N,N-dimethyl-2-[3-methyl-5-(8-methyl-5-pyridin-2-yl-4H-benzo[b]phosphindol-4-id-3-yl)benzene-6-id-1-yl]oxypyridin-4-amine;bis(4-methyl-2-[8-methyl-3-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-4H-benzo[b][1]benzoborol-4-id-5-yl]pyridine);hexakis(platinum(2+))
• SMILES: Cc1cc(Oc2cc(N(C)C)ccn2)[c-]c(-c2[c-]c3c(cc2)c2cc(C)ccc2p3-c2ccccn2)c1.Cc1cc(Oc2ccccn2)[c-]c(-c2[c-]c3c(cc2)-c2cc(C)ccc2B3c2cc(C)ccn2)c1.Cc1cc(Oc2ccccn2)[c-]c(-c2[c-]c3c(cc2)-c2cc(C)ccc2B3c2cc(C)ccn2)c1.Cc1ccc2c(c1)-c1ccc(-c3[c-]c(Oc4ccccn4)cc(C(F)(F)F)c3)[c-]c1B2c1cc(C(C)(C)C)ccn1.[2H]c1cc(Oc2cc(C(F)(F)F)ccn2)[c-]c(-c2[c-]c3c(cc2)c2cc([2H])ccc2p3-c2ccccn2)c1.[2H]c1cc(Oc2ccccn2)[c-]c(-c2[c-]c3c(cc2)-c2cc([2H])ccc2B3c2cc(C)ccn2)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
• InChI: InChI=1S/C34H26BF3N2O.C32H26N3OP.2C31H23BN2O.C29H19BN2O.C29H16F3N2OP.6Pt/c1-21-8-11-29-28(15-21)27-10-9-22(18-30(27)35(29)31-20-24(12-14-39-31)33(2,3)4)23-16-25(34(36,37)38)19-26(17-23)41-32-7-5-6-13-40-32;1-21-8-11-29-28(17-21)27-10-9-23(19-30(27)37(29)32-7-5-6-13-34-32)24-15-22(2)16-26(18-24)36-31-20-25(35(3)4)12-14-33-31;2*1-20-7-10-28-27(16-20)26-9-8-23(19-29(26)32(28)30-17-21(2)11-13-33-30)24-14-22(3)15-25(18-24)35-31-6-4-5-12-34-31;1-20-14-16-31-28(17-20)30-26-10-3-2-9-24(26)25-13-12-22(19-27(25)30)21-7-6-8-23(18-21)33-29-11-4-5-15-32-29;30-29(31,32)21-13-15-33-27(18-21)35-22-7-5-6-19(16-22)20-11-12-24-23-8-1-2-9-25(23)36(26(24)17-20)28-10-3-4-14-34-28;;;;;;/h5-16,19-20H,1-4H3;5-17,20H,1-4H3;2*4-17H,1-3H3;2-17H,1H3;1-15,18H;;;;;;/q6*-2;6*+2/i;;;;2D,6D;1D,5D
• InChIKey: HLPGTRMUANLXCJ-MGHWCEISSA-N
• XLogP: 38.24
• TPSA: 213.30 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 25
• Heavy Atoms: 223
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4039.87
LogP ≤ 5	38.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

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 4-tert-butyl-2-[8-methyl-3-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-4H-benzo[b][1]benzoborol-4-id-5-yl]pyridine;2-[3-deuterio-5-(8-deuterio-5-pyridin-2-yl-4H-benzo[b]phosphindol-4-id-3-yl)benzene-6-id-1-yl]oxy-4-(trifluoromethyl)pyridine;2-[8-deuterio-3-(3-deuterio-5-pyridin-2-yloxybenzene-6-id-1-yl)-4H-benzo[b][1]benzoborol-4-id-5-yl]-4-methylpyridine;N,N-dimethyl-2-[3-methyl-5-(8-methyl-5-pyridin-2-yl-4H-benzo[b]phosphindol-4-id-3-yl)benzene-6-id-1-yl]oxypyridin-4-amine;bis(4-methyl-2-[8-methyl-3-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-4H-benzo[b][1]benzoborol-4-id-5-yl]pyridine);hexakis(platinum(2+))?

The IUPAC name of 4-tert-butyl-2-[8-methyl-3-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-4H-benzo[b][1]benzoborol-4-id-5-yl]pyridine;2-[3-deuterio-5-(8-deuterio-5-pyridin-2-yl-4H-benzo[b]phosphindol-4-id-3-yl)benzene-6-id-1-yl]oxy-4-(trifluoromethyl)pyridine;2-[8-deuterio-3-(3-deuterio-5-pyridin-2-yloxybenzene-6-id-1-yl)-4H-benzo[b][1]benzoborol-4-id-5-yl]-4-methylpyridine;N,N-dimethyl-2-[3-methyl-5-(8-methyl-5-pyridin-2-yl-4H-benzo[b]phosphindol-4-id-3-yl)benzene-6-id-1-yl]oxypyridin-4-amine;bis(4-methyl-2-[8-methyl-3-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-4H-benzo[b][1]benzoborol-4-id-5-yl]pyridine);hexakis(platinum(2+)) (CID 158171308) is 4-tert-butyl-2-[8-methyl-3-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-4H-benzo[b][1]benzoborol-4-id-5-yl]pyridine;2-[3-deuterio-5-(8-deuterio-5-pyridin-2-yl-4H-benzo[b]phosphindol-4-id-3-yl)benzene-6-id-1-yl]oxy-4-(trifluoromethyl)pyridine;2-[8-deuterio-3-(3-deuterio-5-pyridin-2-yloxybenzene-6-id-1-yl)-4H-benzo[b][1]benzoborol-4-id-5-yl]-4-methylpyridine;N,N-dimethyl-2-[3-methyl-5-(8-methyl-5-pyridin-2-yl-4H-benzo[b]phosphindol-4-id-3-yl)benzene-6-id-1-yl]oxypyridin-4-amine;bis(4-methyl-2-[8-methyl-3-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-4H-benzo[b][1]benzoborol-4-id-5-yl]pyridine);hexakis(platinum(2+)).

What is the SMILES notation for 4-tert-butyl-2-[8-methyl-3-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-4H-benzo[b][1]benzoborol-4-id-5-yl]pyridine;2-[3-deuterio-5-(8-deuterio-5-pyridin-2-yl-4H-benzo[b]phosphindol-4-id-3-yl)benzene-6-id-1-yl]oxy-4-(trifluoromethyl)pyridine;2-[8-deuterio-3-(3-deuterio-5-pyridin-2-yloxybenzene-6-id-1-yl)-4H-benzo[b][1]benzoborol-4-id-5-yl]-4-methylpyridine;N,N-dimethyl-2-[3-methyl-5-(8-methyl-5-pyridin-2-yl-4H-benzo[b]phosphindol-4-id-3-yl)benzene-6-id-1-yl]oxypyridin-4-amine;bis(4-methyl-2-[8-methyl-3-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-4H-benzo[b][1]benzoborol-4-id-5-yl]pyridine);hexakis(platinum(2+))?

The canonical SMILES for 4-tert-butyl-2-[8-methyl-3-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-4H-benzo[b][1]benzoborol-4-id-5-yl]pyridine;2-[3-deuterio-5-(8-deuterio-5-pyridin-2-yl-4H-benzo[b]phosphindol-4-id-3-yl)benzene-6-id-1-yl]oxy-4-(trifluoromethyl)pyridine;2-[8-deuterio-3-(3-deuterio-5-pyridin-2-yloxybenzene-6-id-1-yl)-4H-benzo[b][1]benzoborol-4-id-5-yl]-4-methylpyridine;N,N-dimethyl-2-[3-methyl-5-(8-methyl-5-pyridin-2-yl-4H-benzo[b]phosphindol-4-id-3-yl)benzene-6-id-1-yl]oxypyridin-4-amine;bis(4-methyl-2-[8-methyl-3-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-4H-benzo[b][1]benzoborol-4-id-5-yl]pyridine);hexakis(platinum(2+)) is Cc1cc(Oc2cc(N(C)C)ccn2)[c-]c(-c2[c-]c3c(cc2)c2cc(C)ccc2p3-c2ccccn2)c1.Cc1cc(Oc2ccccn2)[c-]c(-c2[c-]c3c(cc2)-c2cc(C)ccc2B3c2cc(C)ccn2)c1.Cc1cc(Oc2ccccn2)[c-]c(-c2[c-]c3c(cc2)-c2cc(C)ccc2B3c2cc(C)ccn2)c1.Cc1ccc2c(c1)-c1ccc(-c3[c-]c(Oc4ccccn4)cc(C(F)(F)F)c3)[c-]c1B2c1cc(C(C)(C)C)ccn1.[2H]c1cc(Oc2cc(C(F)(F)F)ccn2)[c-]c(-c2[c-]c3c(cc2)c2cc([2H])ccc2p3-c2ccccn2)c1.[2H]c1cc(Oc2ccccn2)[c-]c(-c2[c-]c3c(cc2)-c2cc([2H])ccc2B3c2cc(C)ccn2)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].

What is the InChIKey of 4-tert-butyl-2-[8-methyl-3-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-4H-benzo[b][1]benzoborol-4-id-5-yl]pyridine;2-[3-deuterio-5-(8-deuterio-5-pyridin-2-yl-4H-benzo[b]phosphindol-4-id-3-yl)benzene-6-id-1-yl]oxy-4-(trifluoromethyl)pyridine;2-[8-deuterio-3-(3-deuterio-5-pyridin-2-yloxybenzene-6-id-1-yl)-4H-benzo[b][1]benzoborol-4-id-5-yl]-4-methylpyridine;N,N-dimethyl-2-[3-methyl-5-(8-methyl-5-pyridin-2-yl-4H-benzo[b]phosphindol-4-id-3-yl)benzene-6-id-1-yl]oxypyridin-4-amine;bis(4-methyl-2-[8-methyl-3-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-4H-benzo[b][1]benzoborol-4-id-5-yl]pyridine);hexakis(platinum(2+))?

The InChIKey is HLPGTRMUANLXCJ-MGHWCEISSA-N. The full InChI is InChI=1S/C34H26BF3N2O.C32H26N3OP.2C31H23BN2O.C29H19BN2O.C29H16F3N2OP.6Pt/c1-21-8-11-29-28(15-21)27-10-9-22(18-30(27)35(29)31-20-24(12-14-39-31)33(2,3)4)23-16-25(34(36,37)38)19-26(17-23)41-32-7-5-6-13-40-32;1-21-8-11-29-28(17-21)27-10-9-23(19-30(27)37(29)32-7-5-6-13-34-32)24-15-22(2)16-26(18-24)36-31-20-25(35(3)4)12-14-33-31;2*1-20-7-10-28-27(16-20)26-9-8-23(19-29(26)32(28)30-17-21(2)11-13-33-30)24-14-22(3)15-25(18-24)35-31-6-4-5-12-34-31;1-20-14-16-31-28(17-20)30-26-10-3-2-9-24(26)25-13-12-22(19-27(25)30)21-7-6-8-23(18-21)33-29-11-4-5-15-32-29;30-29(31,32)21-13-15-33-27(18-21)35-22-7-5-6-19(16-22)20-11-12-24-23-8-1-2-9-25(23)36(26(24)17-20)28-10-3-4-14-34-28;;;;;;/h5-16,19-20H,1-4H3;5-17,20H,1-4H3;2*4-17H,1-3H3;2-17H,1H3;1-15,18H;;;;;;/q6*-2;6*+2/i;;;;2D,6D;1D,5D;;;;;;.

What are the key properties of 4-tert-butyl-2-[8-methyl-3-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-4H-benzo[b][1]benzoborol-4-id-5-yl]pyridine;2-[3-deuterio-5-(8-deuterio-5-pyridin-2-yl-4H-benzo[b]phosphindol-4-id-3-yl)benzene-6-id-1-yl]oxy-4-(trifluoromethyl)pyridine;2-[8-deuterio-3-(3-deuterio-5-pyridin-2-yloxybenzene-6-id-1-yl)-4H-benzo[b][1]benzoborol-4-id-5-yl]-4-methylpyridine;N,N-dimethyl-2-[3-methyl-5-(8-methyl-5-pyridin-2-yl-4H-benzo[b]phosphindol-4-id-3-yl)benzene-6-id-1-yl]oxypyridin-4-amine;bis(4-methyl-2-[8-methyl-3-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-4H-benzo[b][1]benzoborol-4-id-5-yl]pyridine);hexakis(platinum(2+))?

4-tert-butyl-2-[8-methyl-3-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-4H-benzo[b][1]benzoborol-4-id-5-yl]pyridine;2-[3-deuterio-5-(8-deuterio-5-pyridin-2-yl-4H-benzo[b]phosphindol-4-id-3-yl)benzene-6-id-1-yl]oxy-4-(trifluoromethyl)pyridine;2-[8-deuterio-3-(3-deuterio-5-pyridin-2-yloxybenzene-6-id-1-yl)-4H-benzo[b][1]benzoborol-4-id-5-yl]-4-methylpyridine;N,N-dimethyl-2-[3-methyl-5-(8-methyl-5-pyridin-2-yl-4H-benzo[b]phosphindol-4-id-3-yl)benzene-6-id-1-yl]oxypyridin-4-amine;bis(4-methyl-2-[8-methyl-3-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-4H-benzo[b][1]benzoborol-4-id-5-yl]pyridine);hexakis(platinum(2+)) has a molecular weight of 4039.87 g/mol, XLogP of 38.24, 25 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-[8-methyl-3-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-4H-benzo[b][1]benzoborol-4-id-5-yl]pyridine;2-[3-deuterio-5-(8-deuterio-5-pyridin-2-yl-4H-benzo[b]phosphindol-4-id-3-yl)benzene-6-id-1-yl]oxy-4-(trifluoromethyl)pyridine;2-[8-deuterio-3-(3-deuterio-5-pyridin-2-yloxybenzene-6-id-1-yl)-4H-benzo[b][1]benzoborol-4-id-5-yl]-4-methylpyridine;N,N-dimethyl-2-[3-methyl-5-(8-methyl-5-pyridin-2-yl-4H-benzo[b]phosphindol-4-id-3-yl)benzene-6-id-1-yl]oxypyridin-4-amine;bis(4-methyl-2-[8-methyl-3-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-4H-benzo[b][1]benzoborol-4-id-5-yl]pyridine);hexakis(platinum(2+)) is sourced from PubChem (CID 158171308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).