2-[2-[2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-oxazole;2-[2-[2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-thiazole;9-(5-imidazol-1-ylpyrimidin-2-yl)-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[5-(2,3,4,5,6-pentamethylphenyl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(platinum(2+))

C₁₇₂H₁₀₂N₂₄O₉Pt₈S — CID 159560317

About 2-[2-[2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-oxazole;2-[2-[2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-thiazole;9-(5-imidazol-1-ylpyrimidin-2-yl)-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[5-(2,3,4,5,6-pentamethylphenyl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(platinum(2+))

2-[2-[2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-oxazole;2-[2-[2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-thiazole;9-(5-imidazol-1-ylpyrimidin-2-yl)-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[5-(2,3,4,5,6-pentamethylphenyl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(platinum(2+)) (PubChem CID 159560317) has the molecular formula C₁₇₂H₁₀₂N₂₄O₉Pt₈S and a molecular weight of 4241.56 g/mol. Its IUPAC name is 2-[2-[2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-oxazole;2-[2-[2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-thiazole;9-(5-imidazol-1-ylpyrimidin-2-yl)-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[5-(2,3,4,5,6-pentamethylphenyl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(platinum(2+)).

Molecular Properties

• Compound Name: 2-[2-[2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-oxazole;2-[2-[2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-thiazole;9-(5-imidazol-1-ylpyrimidin-2-yl)-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[5-(2,3,4,5,6-pentamethylphenyl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(platinum(2+))
• PubChem CID: 159560317
• Molecular Formula: C₁₇₂H₁₀₂N₂₄O₉Pt₈S
• Molecular Weight: 4241.56 g/mol
• Exact Mass: 4238.52
• IUPAC Name: 2-[2-[2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-oxazole;2-[2-[2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-thiazole;9-(5-imidazol-1-ylpyrimidin-2-yl)-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[5-(2,3,4,5,6-pentamethylphenyl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(platinum(2+))
• SMILES: Cc1c(C)c(C)c(-c2cnc(-n3c4[c-]c(Oc5[c-]c(-c6ccccn6)ccc5)ccc4c4ccc(Oc5[c-]c(-c6ccccn6)ccc5)[c-]c43)nc2)c(C)c1C.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c(-c5ccccn5)ccc4)[c-]c2n3-c2ncc(-c3ncco3)cn2)cccc1-c1ccccn1.[c-]1c(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c(-c5ccccn5)ccc4)[c-]c2n3-c2ncc(-c3nccs3)cn2)cccc1-c1ccccn1.[c-]1c(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c(-c5ccccn5)ccc4)[c-]c2n3-c2ncc(-n3ccnc3)cn2)cccc1-c1ccccn1
• InChI: InChI=1S/C49H35N5O2.C41H23N7O2.C41H22N6O3.C41H22N6O2S.8Pt/c1-30-31(2)33(4)48(34(5)32(30)3)37-28-52-49(53-29-37)54-46-26-40(55-38-14-10-12-35(24-38)44-16-6-8-22-50-44)18-20-42(46)43-21-19-41(27-47(43)54)56-39-15-11-13-36(25-39)45-17-7-9-23-51-45;1-3-17-43-37(11-1)28-7-5-9-31(21-28)49-33-13-15-35-36-16-14-34(50-32-10-6-8-29(22-32)38-12-2-4-18-44-38)24-40(36)48(39(35)23-33)41-45-25-30(26-46-41)47-20-19-42-27-47;1-3-17-42-36(11-1)27-7-5-9-30(21-27)49-32-13-15-34-35-16-14-33(50-31-10-6-8-28(22-31)37-12-2-4-18-43-37)24-39(35)47(38(34)23-32)41-45-25-29(26-46-41)40-44-19-20-48-40;1-3-17-42-36(11-1)27-7-5-9-30(21-27)48-32-13-15-34-35-16-14-33(49-31-10-6-8-28(22-31)37-12-2-4-18-43-37)24-39(35)47(38(34)23-32)41-45-25-29(26-46-41)40-44-19-20-50-40;;;;;;;;/h6-23,28-29H,1-5H3;1-20,25-27H;2*1-20,25-26H;;;;;;;;/q4*-4;8*+2
• InChIKey: XKGQEPJZQZLUKJ-UHFFFAOYSA-N
• XLogP: 39.09
• TPSA: 356.54 Ų
• H-Bond Acceptors: 34
• Rotatable Bonds: 32
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4241.56
LogP ≤ 5	39.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-oxazole;2-[2-[2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-thiazole;9-(5-imidazol-1-ylpyrimidin-2-yl)-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[5-(2,3,4,5,6-pentamethylphenyl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(platinum(2+))?

The IUPAC name of 2-[2-[2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-oxazole;2-[2-[2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-thiazole;9-(5-imidazol-1-ylpyrimidin-2-yl)-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[5-(2,3,4,5,6-pentamethylphenyl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(platinum(2+)) (CID 159560317) is 2-[2-[2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-oxazole;2-[2-[2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-thiazole;9-(5-imidazol-1-ylpyrimidin-2-yl)-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[5-(2,3,4,5,6-pentamethylphenyl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(platinum(2+)).

What is the SMILES notation for 2-[2-[2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-oxazole;2-[2-[2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-thiazole;9-(5-imidazol-1-ylpyrimidin-2-yl)-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[5-(2,3,4,5,6-pentamethylphenyl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(platinum(2+))?

The canonical SMILES for 2-[2-[2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-oxazole;2-[2-[2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-thiazole;9-(5-imidazol-1-ylpyrimidin-2-yl)-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[5-(2,3,4,5,6-pentamethylphenyl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(platinum(2+)) is Cc1c(C)c(C)c(-c2cnc(-n3c4[c-]c(Oc5[c-]c(-c6ccccn6)ccc5)ccc4c4ccc(Oc5[c-]c(-c6ccccn6)ccc5)[c-]c43)nc2)c(C)c1C.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c(-c5ccccn5)ccc4)[c-]c2n3-c2ncc(-c3ncco3)cn2)cccc1-c1ccccn1.[c-]1c(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c(-c5ccccn5)ccc4)[c-]c2n3-c2ncc(-c3nccs3)cn2)cccc1-c1ccccn1.[c-]1c(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c(-c5ccccn5)ccc4)[c-]c2n3-c2ncc(-n3ccnc3)cn2)cccc1-c1ccccn1.

What is the InChIKey of 2-[2-[2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-oxazole;2-[2-[2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-thiazole;9-(5-imidazol-1-ylpyrimidin-2-yl)-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[5-(2,3,4,5,6-pentamethylphenyl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(platinum(2+))?

The InChIKey is XKGQEPJZQZLUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35N5O2.C41H23N7O2.C41H22N6O3.C41H22N6O2S.8Pt/c1-30-31(2)33(4)48(34(5)32(30)3)37-28-52-49(53-29-37)54-46-26-40(55-38-14-10-12-35(24-38)44-16-6-8-22-50-44)18-20-42(46)43-21-19-41(27-47(43)54)56-39-15-11-13-36(25-39)45-17-7-9-23-51-45;1-3-17-43-37(11-1)28-7-5-9-31(21-28)49-33-13-15-35-36-16-14-34(50-32-10-6-8-29(22-32)38-12-2-4-18-44-38)24-40(36)48(39(35)23-33)41-45-25-30(26-46-41)47-20-19-42-27-47;1-3-17-42-36(11-1)27-7-5-9-30(21-27)49-32-13-15-34-35-16-14-33(50-31-10-6-8-28(22-31)37-12-2-4-18-43-37)24-39(35)47(38(34)23-32)41-45-25-29(26-46-41)40-44-19-20-48-40;1-3-17-42-36(11-1)27-7-5-9-30(21-27)48-32-13-15-34-35-16-14-33(49-31-10-6-8-28(22-31)37-12-2-4-18-43-37)24-39(35)47(38(34)23-32)41-45-25-29(26-46-41)40-44-19-20-50-40;;;;;;;;/h6-23,28-29H,1-5H3;1-20,25-27H;2*1-20,25-26H;;;;;;;;/q4*-4;8*+2.

What are the key properties of 2-[2-[2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-oxazole;2-[2-[2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-thiazole;9-(5-imidazol-1-ylpyrimidin-2-yl)-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[5-(2,3,4,5,6-pentamethylphenyl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(platinum(2+))?

2-[2-[2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-oxazole;2-[2-[2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-thiazole;9-(5-imidazol-1-ylpyrimidin-2-yl)-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[5-(2,3,4,5,6-pentamethylphenyl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(platinum(2+)) has a molecular weight of 4241.56 g/mol, XLogP of 39.09, 32 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-oxazole;2-[2-[2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-thiazole;9-(5-imidazol-1-ylpyrimidin-2-yl)-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[5-(2,3,4,5,6-pentamethylphenyl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(platinum(2+)) is sourced from PubChem (CID 159560317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159560317 — identifiers, structure, computed properties (public domain)

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