2-[2-[2,7-bis[(3-pyridin-2-yloxybenzene-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-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-thiazole;2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(5-pyrrol-1-ylpyrimidin-2-yl)-1,8-dihydrocarbazole-1,8-diide;9-(5-imidazol-1-ylpyrimidin-2-yl)-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))

C165H91N25O17Pd8S — CID 158161074

About 2-[2-[2,7-bis[(3-pyridin-2-yloxybenzene-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-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-thiazole;2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(5-pyrrol-1-ylpyrimidin-2-yl)-1,8-dihydrocarbazole-1,8-diide;9-(5-imidazol-1-ylpyrimidin-2-yl)-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))

2-[2-[2,7-bis[(3-pyridin-2-yloxybenzene-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-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-thiazole;2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(5-pyrrol-1-ylpyrimidin-2-yl)-1,8-dihydrocarbazole-1,8-diide;9-(5-imidazol-1-ylpyrimidin-2-yl)-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)) (PubChem CID 158161074) has the molecular formula C165H91N25O17Pd8S and a molecular weight of 3579.13 g/mol. Its IUPAC name is 2-[2-[2,7-bis[(3-pyridin-2-yloxybenzene-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-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-thiazole;2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(5-pyrrol-1-ylpyrimidin-2-yl)-1,8-dihydrocarbazole-1,8-diide;9-(5-imidazol-1-ylpyrimidin-2-yl)-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)).

Molecular Properties

• Compound Name: 2-[2-[2,7-bis[(3-pyridin-2-yloxybenzene-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-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-thiazole;2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(5-pyrrol-1-ylpyrimidin-2-yl)-1,8-dihydrocarbazole-1,8-diide;9-(5-imidazol-1-ylpyrimidin-2-yl)-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))
• PubChem CID: 158161074
• Molecular Formula: C165H91N25O17Pd8S
• Molecular Weight: 3579.13 g/mol
• Exact Mass: 3572.90
• IUPAC Name: 2-[2-[2,7-bis[(3-pyridin-2-yloxybenzene-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-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-thiazole;2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(5-pyrrol-1-ylpyrimidin-2-yl)-1,8-dihydrocarbazole-1,8-diide;9-(5-imidazol-1-ylpyrimidin-2-yl)-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))
• SMILES: [Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c(Oc5ccccn5)ccc4)[c-]c2n3-c2ncc(-c3ncco3)cn2)cccc1Oc1ccccn1.[c-]1c(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c(Oc5ccccn5)ccc4)[c-]c2n3-c2ncc(-c3nccs3)cn2)cccc1Oc1ccccn1.[c-]1c(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c(Oc5ccccn5)ccc4)[c-]c2n3-c2ncc(-n3cccc3)cn2)cccc1Oc1ccccn1.[c-]1c(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c(Oc5ccccn5)ccc4)[c-]c2n3-c2ncc(-n3ccnc3)cn2)cccc1Oc1ccccn1
• InChI: InChI=1S/C42H24N6O4.C41H23N7O4.C41H22N6O5.C41H22N6O4S.8Pd/c1-3-19-43-40(13-1)51-32-11-7-9-30(23-32)49-34-15-17-36-37-18-16-35(50-31-10-8-12-33(24-31)52-41-14-2-4-20-44-41)26-39(37)48(38(36)25-34)42-45-27-29(28-46-42)47-21-5-6-22-47;1-3-17-43-39(11-1)51-31-9-5-7-29(21-31)49-33-13-15-35-36-16-14-34(50-30-8-6-10-32(22-30)52-40-12-2-4-18-44-40)24-38(36)48(37(35)23-33)41-45-25-28(26-46-41)47-20-19-42-27-47;1-3-17-42-38(11-1)51-30-9-5-7-28(21-30)49-32-13-15-34-35-16-14-33(50-29-8-6-10-31(22-29)52-39-12-2-4-18-43-39)24-37(35)47(36(34)23-32)41-45-25-27(26-46-41)40-44-19-20-48-40;1-3-17-42-38(11-1)50-30-9-5-7-28(21-30)48-32-13-15-34-35-16-14-33(49-29-8-6-10-31(22-29)51-39-12-2-4-18-43-39)24-37(35)47(36(34)23-32)41-45-25-27(26-46-41)40-44-19-20-52-40;;;;;;;;/h1-22,27-28H;1-20,25-27H;2*1-20,25-26H;;;;;;;;/q4*-4;8*+2
• InChIKey: SDOJUTGCYOFHSJ-UHFFFAOYSA-N
• XLogP: 37.67
• TPSA: 435.31 Ų
• H-Bond Acceptors: 43
• Rotatable Bonds: 40
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3579.13
LogP ≤ 5	37.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	43

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-yloxybenzene-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-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-thiazole;2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(5-pyrrol-1-ylpyrimidin-2-yl)-1,8-dihydrocarbazole-1,8-diide;9-(5-imidazol-1-ylpyrimidin-2-yl)-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))?

The IUPAC name of 2-[2-[2,7-bis[(3-pyridin-2-yloxybenzene-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-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-thiazole;2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(5-pyrrol-1-ylpyrimidin-2-yl)-1,8-dihydrocarbazole-1,8-diide;9-(5-imidazol-1-ylpyrimidin-2-yl)-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)) (CID 158161074) is 2-[2-[2,7-bis[(3-pyridin-2-yloxybenzene-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-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-thiazole;2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(5-pyrrol-1-ylpyrimidin-2-yl)-1,8-dihydrocarbazole-1,8-diide;9-(5-imidazol-1-ylpyrimidin-2-yl)-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)).

What is the SMILES notation for 2-[2-[2,7-bis[(3-pyridin-2-yloxybenzene-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-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-thiazole;2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(5-pyrrol-1-ylpyrimidin-2-yl)-1,8-dihydrocarbazole-1,8-diide;9-(5-imidazol-1-ylpyrimidin-2-yl)-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))?

The canonical SMILES for 2-[2-[2,7-bis[(3-pyridin-2-yloxybenzene-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-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-thiazole;2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(5-pyrrol-1-ylpyrimidin-2-yl)-1,8-dihydrocarbazole-1,8-diide;9-(5-imidazol-1-ylpyrimidin-2-yl)-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)) is [Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c(Oc5ccccn5)ccc4)[c-]c2n3-c2ncc(-c3ncco3)cn2)cccc1Oc1ccccn1.[c-]1c(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c(Oc5ccccn5)ccc4)[c-]c2n3-c2ncc(-c3nccs3)cn2)cccc1Oc1ccccn1.[c-]1c(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c(Oc5ccccn5)ccc4)[c-]c2n3-c2ncc(-n3cccc3)cn2)cccc1Oc1ccccn1.[c-]1c(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c(Oc5ccccn5)ccc4)[c-]c2n3-c2ncc(-n3ccnc3)cn2)cccc1Oc1ccccn1.

What is the InChIKey of 2-[2-[2,7-bis[(3-pyridin-2-yloxybenzene-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-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-thiazole;2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(5-pyrrol-1-ylpyrimidin-2-yl)-1,8-dihydrocarbazole-1,8-diide;9-(5-imidazol-1-ylpyrimidin-2-yl)-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))?

The InChIKey is SDOJUTGCYOFHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24N6O4.C41H23N7O4.C41H22N6O5.C41H22N6O4S.8Pd/c1-3-19-43-40(13-1)51-32-11-7-9-30(23-32)49-34-15-17-36-37-18-16-35(50-31-10-8-12-33(24-31)52-41-14-2-4-20-44-41)26-39(37)48(38(36)25-34)42-45-27-29(28-46-42)47-21-5-6-22-47;1-3-17-43-39(11-1)51-31-9-5-7-29(21-31)49-33-13-15-35-36-16-14-34(50-30-8-6-10-32(22-30)52-40-12-2-4-18-44-40)24-38(36)48(37(35)23-33)41-45-25-28(26-46-41)47-20-19-42-27-47;1-3-17-42-38(11-1)51-30-9-5-7-28(21-30)49-32-13-15-34-35-16-14-33(50-29-8-6-10-31(22-29)52-39-12-2-4-18-43-39)24-37(35)47(36(34)23-32)41-45-25-27(26-46-41)40-44-19-20-48-40;1-3-17-42-38(11-1)50-30-9-5-7-28(21-30)48-32-13-15-34-35-16-14-33(49-29-8-6-10-31(22-29)51-39-12-2-4-18-43-39)24-37(35)47(36(34)23-32)41-45-25-27(26-46-41)40-44-19-20-52-40;;;;;;;;/h1-22,27-28H;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-yloxybenzene-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-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-thiazole;2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(5-pyrrol-1-ylpyrimidin-2-yl)-1,8-dihydrocarbazole-1,8-diide;9-(5-imidazol-1-ylpyrimidin-2-yl)-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))?

2-[2-[2,7-bis[(3-pyridin-2-yloxybenzene-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-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-thiazole;2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(5-pyrrol-1-ylpyrimidin-2-yl)-1,8-dihydrocarbazole-1,8-diide;9-(5-imidazol-1-ylpyrimidin-2-yl)-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)) has a molecular weight of 3579.13 g/mol, XLogP of 37.67, 40 rotatable bonds, 0 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2,7-bis[(3-pyridin-2-yloxybenzene-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-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-thiazole;2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(5-pyrrol-1-ylpyrimidin-2-yl)-1,8-dihydrocarbazole-1,8-diide;9-(5-imidazol-1-ylpyrimidin-2-yl)-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)) is sourced from PubChem (CID 158161074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).