2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;9-(4-deuterio-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-(4,6-dideuterio-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-(4,6-dimethyl-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))

C198H108N32O8Pd8 — CID 157167946

IUPAC2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;9-(4-deuterio-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-(4,6-dideuterio-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-(4,6-dimethyl-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))
SMILESCc1nc(C)nc(-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c32)n1.[2H]c1nc([2H])nc(-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c32)n1.[2H]c1ncnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c32)n1.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc2c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c3n(-c3ncncn3)c12
InChIInChI=1S/C51H30N8O2.3C49H26N8O2.8Pd/c1-31-54-32(2)56-51(55-31)59-47-29-35(60-33-17-21-39-37-11-3-5-13-43(37)57(45(39)27-33)49-15-7-9-25-52-49)19-23-41(47)42-24-20-36(30-48(42)59)61-34-18-22-40-38-12-4-6-14-44(38)58(46(40)28-34)50-16-8-10-26-53-50;3*1-3-11-41-35(9-1)37-19-15-31(25-43(37)55(41)47-13-5-7-23-51-47)58-33-17-21-39-40-22-18-34(28-46(40)57(45(39)27-33)49-53-29-50-30-54-49)59-32-16-20-38-36-10-2-4-12-42(36)56(44(38)26-32)48-14-6-8-24-52-48;;;;;;;;/h3-26H,1-2H3;3*1-24,29-30H;;;;;;;;/q4*-4;8*+2/i;29D,30D;29D;;;;;;;;;
InChIKeyALHDQMDEAMBZFQ-ARNVAZRWSA-N
MW3917.64 g/mol
LogP43.55
Rot. Bonds28

About 2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;9-(4-deuterio-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-(4,6-dideuterio-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-(4,6-dimethyl-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))

2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;9-(4-deuterio-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-(4,6-dideuterio-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-(4,6-dimethyl-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)) (PubChem CID 157167946) has the molecular formula C198H108N32O8Pd8 and a molecular weight of 3917.64 g/mol. Its IUPAC name is 2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;9-(4-deuterio-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-(4,6-dideuterio-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-(4,6-dimethyl-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)).

Molecular Properties

Compound Name2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;9-(4-deuterio-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-(4,6-dideuterio-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-(4,6-dimethyl-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))
PubChem CID157167946
Molecular FormulaC198H108N32O8Pd8
Molecular Weight3917.64 g/mol
Exact Mass3911.15
IUPAC Name2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;9-(4-deuterio-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-(4,6-dideuterio-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-(4,6-dimethyl-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))
SMILESCc1nc(C)nc(-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c32)n1.[2H]c1nc([2H])nc(-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c32)n1.[2H]c1ncnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c32)n1.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc2c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c3n(-c3ncncn3)c12
InChIInChI=1S/C51H30N8O2.3C49H26N8O2.8Pd/c1-31-54-32(2)56-51(55-31)59-47-29-35(60-33-17-21-39-37-11-3-5-13-43(37)57(45(39)27-33)49-15-7-9-25-52-49)19-23-41(47)42-24-20-36(30-48(42)59)61-34-18-22-40-38-12-4-6-14-44(38)58(46(40)28-34)50-16-8-10-26-53-50;3*1-3-11-41-35(9-1)37-19-15-31(25-43(37)55(41)47-13-5-7-23-51-47)58-33-17-21-39-40-22-18-34(28-46(40)57(45(39)27-33)49-53-29-50-30-54-49)59-32-16-20-38-36-10-2-4-12-42(36)56(44(38)26-32)48-14-6-8-24-52-48;;;;;;;;/h3-26H,1-2H3;3*1-24,29-30H;;;;;;;;/q4*-4;8*+2/i;29D,30D;29D;;;;;;;;;
InChIKeyALHDQMDEAMBZFQ-ARNVAZRWSA-N
XLogP43.55
TPSA390.80 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds28
Heavy Atoms246
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003917.64
LogP ≤ 543.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Analyze 2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;9-(4-deuterio-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-(4,6-dideuterio-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-(4,6-dimethyl-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;9-(4-deuterio-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-(4,6-dideuterio-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-(4,6-dimethyl-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))?
The IUPAC name of 2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;9-(4-deuterio-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-(4,6-dideuterio-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-(4,6-dimethyl-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)) (CID 157167946) is 2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;9-(4-deuterio-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-(4,6-dideuterio-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-(4,6-dimethyl-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)).
What is the SMILES notation for 2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;9-(4-deuterio-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-(4,6-dideuterio-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-(4,6-dimethyl-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))?
The canonical SMILES for 2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;9-(4-deuterio-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-(4,6-dideuterio-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-(4,6-dimethyl-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)) is Cc1nc(C)nc(-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c32)n1.[2H]c1nc([2H])nc(-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c32)n1.[2H]c1ncnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c32)n1.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc2c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c3n(-c3ncncn3)c12.
What is the InChIKey of 2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;9-(4-deuterio-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-(4,6-dideuterio-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-(4,6-dimethyl-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))?
The InChIKey is ALHDQMDEAMBZFQ-ARNVAZRWSA-N. The full InChI is InChI=1S/C51H30N8O2.3C49H26N8O2.8Pd/c1-31-54-32(2)56-51(55-31)59-47-29-35(60-33-17-21-39-37-11-3-5-13-43(37)57(45(39)27-33)49-15-7-9-25-52-49)19-23-41(47)42-24-20-36(30-48(42)59)61-34-18-22-40-38-12-4-6-14-44(38)58(46(40)28-34)50-16-8-10-26-53-50;3*1-3-11-41-35(9-1)37-19-15-31(25-43(37)55(41)47-13-5-7-23-51-47)58-33-17-21-39-40-22-18-34(28-46(40)57(45(39)27-33)49-53-29-50-30-54-49)59-32-16-20-38-36-10-2-4-12-42(36)56(44(38)26-32)48-14-6-8-24-52-48;;;;;;;;/h3-26H,1-2H3;3*1-24,29-30H;;;;;;;;/q4*-4;8*+2/i;29D,30D;29D;;;;;;;;;.
What are the key properties of 2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;9-(4-deuterio-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-(4,6-dideuterio-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-(4,6-dimethyl-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))?
2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;9-(4-deuterio-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-(4,6-dideuterio-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-(4,6-dimethyl-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)) has a molecular weight of 3917.64 g/mol, XLogP of 43.55, 28 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;9-(4-deuterio-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-(4,6-dideuterio-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-(4,6-dimethyl-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+)) is sourced from PubChem (CID 157167946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).