2,7-bis[[3-[(3,5-difluoro-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[(3-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[(4-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2-[3-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy-7-[3-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))

C180H98F10N20O16Pd8 — CID 158305968

About 2,7-bis[[3-[(3,5-difluoro-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[(3-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[(4-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2-[3-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy-7-[3-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))

2,7-bis[[3-[(3,5-difluoro-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[(3-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[(4-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2-[3-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy-7-[3-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)) (PubChem CID 158305968) has the molecular formula C180H98F10N20O16Pd8 and a molecular weight of 3838.23 g/mol. Its IUPAC name is 2,7-bis[[3-[(3,5-difluoro-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[(3-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[(4-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2-[3-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy-7-[3-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)).

Molecular Properties

• Compound Name: 2,7-bis[[3-[(3,5-difluoro-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[(3-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[(4-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2-[3-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy-7-[3-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))
• PubChem CID: 158305968
• Molecular Formula: C180H98F10N20O16Pd8
• Molecular Weight: 3838.23 g/mol
• Exact Mass: 3831.96
• IUPAC Name: 2,7-bis[[3-[(3,5-difluoro-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[(3-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[(4-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2-[3-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy-7-[3-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))
• SMILES: Cc1cnc(Oc2[c-]c(Oc3[c-]c4c(cc3)c3ccc(Oc5[c-]c(Oc6ncc(C(F)(F)F)cc6C)ccc5)[c-]c3n4-c3ncccn3)ccc2)c(C(F)(F)F)c1.Fc1cnc(Oc2[c-]c(Oc3[c-]c4c(cc3)c3ccc(Oc5[c-]c(Oc6ncc(F)cc6F)ccc5)[c-]c3n4-c3ncccn3)ccc2)c(F)c1.[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(Oc5cc(-c6ccccc6)ccn5)ccc4)[c-]c2n3-c2ncccn2)cccc1Oc1cc(-c2ccccc2)ccn1.[c-]1c(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c(Oc5ncccc5-c5ccccc5)ccc4)[c-]c2n3-c2ncccn2)cccc1Oc1ncccc1-c1ccccc1
• InChI: InChI=1S/2C50H29N5O4.C42H23F6N5O4.C38H17F4N5O4.8Pd/c1-3-12-34(13-4-1)42-20-9-26-51-48(42)58-38-18-7-16-36(30-38)56-40-22-24-44-45-25-23-41(33-47(45)55(46(44)32-40)50-53-28-11-29-54-50)57-37-17-8-19-39(31-37)59-49-43(21-10-27-52-49)35-14-5-2-6-15-35;1-3-10-34(11-4-1)36-22-26-51-48(28-36)58-40-16-7-14-38(30-40)56-42-18-20-44-45-21-19-43(33-47(45)55(46(44)32-42)50-53-24-9-25-54-50)57-39-15-8-17-41(31-39)59-49-29-37(23-27-52-49)35-12-5-2-6-13-35;1-24-16-35(42(46,47)48)39(51-22-24)57-30-9-4-7-28(19-30)55-32-11-13-34-33-12-10-31(20-36(33)53(37(34)21-32)40-49-14-5-15-50-40)54-27-6-3-8-29(18-27)56-38-25(2)17-26(23-52-38)41(43,44)45;39-22-14-32(41)36(45-20-22)50-26-6-1-4-24(16-26)48-28-8-10-30-31-11-9-29(19-35(31)47(34(30)18-28)38-43-12-3-13-44-38)49-25-5-2-7-27(17-25)51-37-33(42)15-23(40)21-46-37;;;;;;;;/h2*1-29H;3-17,22-23H,1-2H3;1-15,20-21H;;;;;;;;/q4*-4;8*+2
• InChIKey: BRQCHVCOWCYCJC-UHFFFAOYSA-N
• XLogP: 44.79
• TPSA: 373.64 Ų
• H-Bond Acceptors: 36
• Rotatable Bonds: 40
• Heavy Atoms: 234
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3838.23
LogP ≤ 5	44.79
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 2,7-bis[[3-[(3,5-difluoro-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[(3-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[(4-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2-[3-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy-7-[3-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))?

The IUPAC name of 2,7-bis[[3-[(3,5-difluoro-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[(3-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[(4-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2-[3-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy-7-[3-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)) (CID 158305968) is 2,7-bis[[3-[(3,5-difluoro-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[(3-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[(4-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2-[3-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy-7-[3-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)).

What is the SMILES notation for 2,7-bis[[3-[(3,5-difluoro-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[(3-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[(4-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2-[3-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy-7-[3-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))?

The canonical SMILES for 2,7-bis[[3-[(3,5-difluoro-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[(3-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[(4-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2-[3-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy-7-[3-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)) is Cc1cnc(Oc2[c-]c(Oc3[c-]c4c(cc3)c3ccc(Oc5[c-]c(Oc6ncc(C(F)(F)F)cc6C)ccc5)[c-]c3n4-c3ncccn3)ccc2)c(C(F)(F)F)c1.Fc1cnc(Oc2[c-]c(Oc3[c-]c4c(cc3)c3ccc(Oc5[c-]c(Oc6ncc(F)cc6F)ccc5)[c-]c3n4-c3ncccn3)ccc2)c(F)c1.[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(Oc5cc(-c6ccccc6)ccn5)ccc4)[c-]c2n3-c2ncccn2)cccc1Oc1cc(-c2ccccc2)ccn1.[c-]1c(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c(Oc5ncccc5-c5ccccc5)ccc4)[c-]c2n3-c2ncccn2)cccc1Oc1ncccc1-c1ccccc1.

What is the InChIKey of 2,7-bis[[3-[(3,5-difluoro-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[(3-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[(4-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2-[3-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy-7-[3-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))?

The InChIKey is BRQCHVCOWCYCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C50H29N5O4.C42H23F6N5O4.C38H17F4N5O4.8Pd/c1-3-12-34(13-4-1)42-20-9-26-51-48(42)58-38-18-7-16-36(30-38)56-40-22-24-44-45-25-23-41(33-47(45)55(46(44)32-40)50-53-28-11-29-54-50)57-37-17-8-19-39(31-37)59-49-43(21-10-27-52-49)35-14-5-2-6-15-35;1-3-10-34(11-4-1)36-22-26-51-48(28-36)58-40-16-7-14-38(30-40)56-42-18-20-44-45-21-19-43(33-47(45)55(46(44)32-42)50-53-24-9-25-54-50)57-39-15-8-17-41(31-39)59-49-29-37(23-27-52-49)35-12-5-2-6-13-35;1-24-16-35(42(46,47)48)39(51-22-24)57-30-9-4-7-28(19-30)55-32-11-13-34-33-12-10-31(20-36(33)53(37(34)21-32)40-49-14-5-15-50-40)54-27-6-3-8-29(18-27)56-38-25(2)17-26(23-52-38)41(43,44)45;39-22-14-32(41)36(45-20-22)50-26-6-1-4-24(16-26)48-28-8-10-30-31-11-9-29(19-35(31)47(34(30)18-28)38-43-12-3-13-44-38)49-25-5-2-7-27(17-25)51-37-33(42)15-23(40)21-46-37;;;;;;;;/h2*1-29H;3-17,22-23H,1-2H3;1-15,20-21H;;;;;;;;/q4*-4;8*+2.

What are the key properties of 2,7-bis[[3-[(3,5-difluoro-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[(3-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[(4-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2-[3-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy-7-[3-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))?

2,7-bis[[3-[(3,5-difluoro-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[(3-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[(4-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2-[3-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy-7-[3-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)) has a molecular weight of 3838.23 g/mol, XLogP of 44.79, 40 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2,7-bis[[3-[(3,5-difluoro-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[(3-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[(4-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2-[3-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy-7-[3-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)) is sourced from PubChem (CID 158305968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).