4-[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;5-[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;4-[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-(1-methylimidazol-2-yl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))

C165H91N25O10Pd8S — CID 157356720

About 4-[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;5-[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;4-[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-(1-methylimidazol-2-yl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))

4-[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;5-[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;4-[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-(1-methylimidazol-2-yl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)) (PubChem CID 157356720) has the molecular formula C165H91N25O10Pd8S and a molecular weight of 3467.13 g/mol. Its IUPAC name is 4-[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;5-[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;4-[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-(1-methylimidazol-2-yl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)).

Molecular Properties

• Compound Name: 4-[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;5-[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;4-[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-(1-methylimidazol-2-yl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))
• PubChem CID: 157356720
• Molecular Formula: C165H91N25O10Pd8S
• Molecular Weight: 3467.13 g/mol
• Exact Mass: 3460.94
• IUPAC Name: 4-[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;5-[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;4-[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-(1-methylimidazol-2-yl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))
• SMILES: Cn1ccnc1-c1cnc(-n2c3[c-]c(Oc4[c-]c(-c5ccccn5)ccc4)ccc3c3ccc(Oc4[c-]c(-c5ccccn5)ccc4)[c-]c32)nc1.[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(-c5ccccn5)ccc4)[c-]c2n3-c2ncc(-c3cnco3)cn2)cccc1-c1ccccn1.[c-]1c(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c(-c5ccccn5)ccc4)[c-]c2n3-c2ncc(-c3cocn3)cn2)cccc1-c1ccccn1.[c-]1c(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c(-c5ccccn5)ccc4)[c-]c2n3-c2ncc(-c3cscn3)cn2)cccc1-c1ccccn1
• InChI: InChI=1S/C42H25N7O2.2C41H22N6O3.C41H22N6O2S.8Pd/c1-48-21-20-45-41(48)30-26-46-42(47-27-30)49-39-24-33(50-31-10-6-8-28(22-31)37-12-2-4-18-43-37)14-16-35(39)36-17-15-34(25-40(36)49)51-32-11-7-9-29(23-32)38-13-3-5-19-44-38;1-3-17-42-36(11-1)27-7-5-9-30(19-27)49-32-13-15-34-35-16-14-33(50-31-10-6-8-28(20-31)37-12-2-4-18-43-37)22-40(35)47(39(34)21-32)41-44-23-29(24-45-41)38-25-48-26-46-38;1-3-17-43-36(11-1)27-7-5-9-30(19-27)49-32-13-15-34-35-16-14-33(50-31-10-6-8-28(20-31)37-12-2-4-18-44-37)22-39(35)47(38(34)21-32)41-45-23-29(24-46-41)40-25-42-26-48-40;1-3-17-42-36(11-1)27-7-5-9-30(19-27)48-32-13-15-34-35-16-14-33(49-31-10-6-8-28(20-31)37-12-2-4-18-43-37)22-40(35)47(39(34)21-32)41-44-23-29(24-45-41)38-25-50-26-46-38;;;;;;;;/h2-21,26-27H,1H3;3*1-18,23-26H;;;;;;;;/q4*-4;8*+2
• InChIKey: GPHXRNBWIIZSOB-UHFFFAOYSA-N
• XLogP: 36.75
• TPSA: 382.57 Ų
• H-Bond Acceptors: 36
• Rotatable Bonds: 32
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3467.13
LogP ≤ 5	36.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[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;5-[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;4-[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-(1-methylimidazol-2-yl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))?

The IUPAC name of 4-[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;5-[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;4-[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-(1-methylimidazol-2-yl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)) (CID 157356720) is 4-[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;5-[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;4-[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-(1-methylimidazol-2-yl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)).

What is the SMILES notation for 4-[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;5-[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;4-[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-(1-methylimidazol-2-yl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))?

The canonical SMILES for 4-[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;5-[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;4-[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-(1-methylimidazol-2-yl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)) is Cn1ccnc1-c1cnc(-n2c3[c-]c(Oc4[c-]c(-c5ccccn5)ccc4)ccc3c3ccc(Oc4[c-]c(-c5ccccn5)ccc4)[c-]c32)nc1.[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(-c5ccccn5)ccc4)[c-]c2n3-c2ncc(-c3cnco3)cn2)cccc1-c1ccccn1.[c-]1c(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c(-c5ccccn5)ccc4)[c-]c2n3-c2ncc(-c3cocn3)cn2)cccc1-c1ccccn1.[c-]1c(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c(-c5ccccn5)ccc4)[c-]c2n3-c2ncc(-c3cscn3)cn2)cccc1-c1ccccn1.

What is the InChIKey of 4-[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;5-[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;4-[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-(1-methylimidazol-2-yl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))?

The InChIKey is GPHXRNBWIIZSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25N7O2.2C41H22N6O3.C41H22N6O2S.8Pd/c1-48-21-20-45-41(48)30-26-46-42(47-27-30)49-39-24-33(50-31-10-6-8-28(22-31)37-12-2-4-18-43-37)14-16-35(39)36-17-15-34(25-40(36)49)51-32-11-7-9-29(23-32)38-13-3-5-19-44-38;1-3-17-42-36(11-1)27-7-5-9-30(19-27)49-32-13-15-34-35-16-14-33(50-31-10-6-8-28(20-31)37-12-2-4-18-43-37)22-40(35)47(39(34)21-32)41-44-23-29(24-45-41)38-25-48-26-46-38;1-3-17-43-36(11-1)27-7-5-9-30(19-27)49-32-13-15-34-35-16-14-33(50-31-10-6-8-28(20-31)37-12-2-4-18-44-37)22-39(35)47(38(34)21-32)41-45-23-29(24-46-41)40-25-42-26-48-40;1-3-17-42-36(11-1)27-7-5-9-30(19-27)48-32-13-15-34-35-16-14-33(49-31-10-6-8-28(20-31)37-12-2-4-18-43-37)22-40(35)47(39(34)21-32)41-44-23-29(24-45-41)38-25-50-26-46-38;;;;;;;;/h2-21,26-27H,1H3;3*1-18,23-26H;;;;;;;;/q4*-4;8*+2.

What are the key properties of 4-[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;5-[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;4-[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-(1-methylimidazol-2-yl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))?

4-[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;5-[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;4-[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-(1-methylimidazol-2-yl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)) has a molecular weight of 3467.13 g/mol, XLogP of 36.75, 32 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[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;5-[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;4-[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-(1-methylimidazol-2-yl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)) is sourced from PubChem (CID 157356720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).