pentakis(platinum(2+));2-[9-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]thioxanthen-9-yl]pyridine;2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-benzothiazole;1-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]isoquinoline;3-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]isoquinoline;2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]quinoline

C214H145N11O5Pt5S6 — CID 158403131

About pentakis(platinum(2+));2-[9-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]thioxanthen-9-yl]pyridine;2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-benzothiazole;1-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]isoquinoline;3-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]isoquinoline;2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]quinoline

pentakis(platinum(2+));2-[9-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]thioxanthen-9-yl]pyridine;2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-benzothiazole;1-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]isoquinoline;3-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]isoquinoline;2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]quinoline (PubChem CID 158403131) has the molecular formula C214H145N11O5Pt5S6 and a molecular weight of 4118.38 g/mol. Its IUPAC name is pentakis(platinum(2+));2-[9-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]thioxanthen-9-yl]pyridine;2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-benzothiazole;1-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]isoquinoline;3-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]isoquinoline;2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]quinoline.

Molecular Properties

• Compound Name: pentakis(platinum(2+));2-[9-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]thioxanthen-9-yl]pyridine;2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-benzothiazole;1-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]isoquinoline;3-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]isoquinoline;2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]quinoline
• PubChem CID: 158403131
• Molecular Formula: C214H145N11O5Pt5S6
• Molecular Weight: 4118.38 g/mol
• Exact Mass: 4114.80
• IUPAC Name: pentakis(platinum(2+));2-[9-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]thioxanthen-9-yl]pyridine;2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-benzothiazole;1-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]isoquinoline;3-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]isoquinoline;2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]quinoline
• SMILES: Cc1cc(C)c(-c2cc(Oc3[c-]c(C4(c5ccccn5)c5ccccc5Sc5ccccc54)ccc3)[c-]c(-c3cc4ccccc4cn3)c2)c(C)c1.Cc1cc(C)c(-c2cc(Oc3[c-]c(C4(c5ccccn5)c5ccccc5Sc5ccccc54)ccc3)[c-]c(-c3ccc4ccccc4n3)c2)c(C)c1.Cc1cc(C)c(-c2cc(Oc3[c-]c(C4(c5ccccn5)c5ccccc5Sc5ccccc54)ccc3)[c-]c(-c3nccc4ccccc34)c2)c(C)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(Oc2[c-]c(C3(c4ccccn4)c4ccccc4Sc4ccccc43)ccc2)cccc1-c1nc2ccccc2s1.[c-]1c(Oc2[c-]c(C3(c4ccccn4)c4ccccc4Sc4ccccc43)ccc2)cccc1-n1cccn1
• InChI: InChI=1S/3C48H34N2OS.C37H22N2OS2.C33H21N3OS.5Pt/c1-31-25-32(2)47(33(3)26-31)36-27-35(43-23-22-34-13-4-7-18-42(34)50-43)28-39(29-36)51-38-15-12-14-37(30-38)48(46-21-10-11-24-49-46)40-16-5-8-19-44(40)52-45-20-9-6-17-41(45)48;1-31-25-32(2)46(33(3)26-31)35-27-36(47-40-16-5-4-13-34(40)22-24-50-47)29-39(28-35)51-38-15-12-14-37(30-38)48(45-21-10-11-23-49-45)41-17-6-8-19-43(41)52-44-20-9-7-18-42(44)48;1-31-23-32(2)47(33(3)24-31)37-25-36(43-28-34-13-4-5-14-35(34)30-50-43)26-40(27-37)51-39-16-12-15-38(29-39)48(46-21-10-11-22-49-46)41-17-6-8-19-44(41)52-45-20-9-7-18-42(45)48;1-4-18-32-29(15-1)37(35-21-7-8-22-38-35,30-16-2-5-19-33(30)41-32)26-12-10-14-28(24-26)40-27-13-9-11-25(23-27)36-39-31-17-3-6-20-34(31)42-36;1-3-16-30-28(14-1)33(32-18-5-6-19-34-32,29-15-2-4-17-31(29)38-30)24-10-7-12-26(22-24)37-27-13-8-11-25(23-27)36-21-9-20-35-36;;;;;/h4-27,29H,1-3H3;4-28H,1-3H3;4-25,27-28,30H,1-3H3;1-22H;1-21H;;;;;/q5*-2;5*+2
• InChIKey: AZOQQQDTOHTLGB-UHFFFAOYSA-N
• XLogP: 53.48
• TPSA: 179.98 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 28
• Heavy Atoms: 241
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4118.38
LogP ≤ 5	53.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of pentakis(platinum(2+));2-[9-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]thioxanthen-9-yl]pyridine;2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-benzothiazole;1-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]isoquinoline;3-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]isoquinoline;2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]quinoline?

The IUPAC name of pentakis(platinum(2+));2-[9-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]thioxanthen-9-yl]pyridine;2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-benzothiazole;1-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]isoquinoline;3-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]isoquinoline;2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]quinoline (CID 158403131) is pentakis(platinum(2+));2-[9-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]thioxanthen-9-yl]pyridine;2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-benzothiazole;1-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]isoquinoline;3-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]isoquinoline;2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]quinoline.

What is the SMILES notation for pentakis(platinum(2+));2-[9-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]thioxanthen-9-yl]pyridine;2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-benzothiazole;1-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]isoquinoline;3-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]isoquinoline;2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]quinoline?

The canonical SMILES for pentakis(platinum(2+));2-[9-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]thioxanthen-9-yl]pyridine;2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-benzothiazole;1-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]isoquinoline;3-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]isoquinoline;2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]quinoline is Cc1cc(C)c(-c2cc(Oc3[c-]c(C4(c5ccccn5)c5ccccc5Sc5ccccc54)ccc3)[c-]c(-c3cc4ccccc4cn3)c2)c(C)c1.Cc1cc(C)c(-c2cc(Oc3[c-]c(C4(c5ccccn5)c5ccccc5Sc5ccccc54)ccc3)[c-]c(-c3ccc4ccccc4n3)c2)c(C)c1.Cc1cc(C)c(-c2cc(Oc3[c-]c(C4(c5ccccn5)c5ccccc5Sc5ccccc54)ccc3)[c-]c(-c3nccc4ccccc34)c2)c(C)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(Oc2[c-]c(C3(c4ccccn4)c4ccccc4Sc4ccccc43)ccc2)cccc1-c1nc2ccccc2s1.[c-]1c(Oc2[c-]c(C3(c4ccccn4)c4ccccc4Sc4ccccc43)ccc2)cccc1-n1cccn1.

What is the InChIKey of pentakis(platinum(2+));2-[9-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]thioxanthen-9-yl]pyridine;2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-benzothiazole;1-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]isoquinoline;3-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]isoquinoline;2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]quinoline?

The InChIKey is AZOQQQDTOHTLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C48H34N2OS.C37H22N2OS2.C33H21N3OS.5Pt/c1-31-25-32(2)47(33(3)26-31)36-27-35(43-23-22-34-13-4-7-18-42(34)50-43)28-39(29-36)51-38-15-12-14-37(30-38)48(46-21-10-11-24-49-46)40-16-5-8-19-44(40)52-45-20-9-6-17-41(45)48;1-31-25-32(2)46(33(3)26-31)35-27-36(47-40-16-5-4-13-34(40)22-24-50-47)29-39(28-35)51-38-15-12-14-37(30-38)48(45-21-10-11-23-49-45)41-17-6-8-19-43(41)52-44-20-9-7-18-42(44)48;1-31-23-32(2)47(33(3)24-31)37-25-36(43-28-34-13-4-5-14-35(34)30-50-43)26-40(27-37)51-39-16-12-15-38(29-39)48(46-21-10-11-22-49-46)41-17-6-8-19-44(41)52-45-20-9-7-18-42(45)48;1-4-18-32-29(15-1)37(35-21-7-8-22-38-35,30-16-2-5-19-33(30)41-32)26-12-10-14-28(24-26)40-27-13-9-11-25(23-27)36-39-31-17-3-6-20-34(31)42-36;1-3-16-30-28(14-1)33(32-18-5-6-19-34-32,29-15-2-4-17-31(29)38-30)24-10-7-12-26(22-24)37-27-13-8-11-25(23-27)36-21-9-20-35-36;;;;;/h4-27,29H,1-3H3;4-28H,1-3H3;4-25,27-28,30H,1-3H3;1-22H;1-21H;;;;;/q5*-2;5*+2.

What are the key properties of pentakis(platinum(2+));2-[9-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]thioxanthen-9-yl]pyridine;2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-benzothiazole;1-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]isoquinoline;3-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]isoquinoline;2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]quinoline?

pentakis(platinum(2+));2-[9-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]thioxanthen-9-yl]pyridine;2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-benzothiazole;1-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]isoquinoline;3-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]isoquinoline;2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]quinoline has a molecular weight of 4118.38 g/mol, XLogP of 53.48, 28 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for pentakis(platinum(2+));2-[9-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]thioxanthen-9-yl]pyridine;2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-benzothiazole;1-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]isoquinoline;3-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]isoquinoline;2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]quinoline is sourced from PubChem (CID 158403131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).