2-[3-(5-butan-2-yl-4-phenyl-3-propylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-butyl-4-phenyl-3-propan-2-ylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-tert-butyl-4-phenyl-3-propylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-(2,2-dimethylpropyl)-4-phenyl-3-propan-2-ylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;tetrakis(palladium(2+))

C161H146N16O4Pd4 — CID 157059736

IUPAC2-[3-(5-butan-2-yl-4-phenyl-3-propylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-butyl-4-phenyl-3-propan-2-ylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-tert-butyl-4-phenyl-3-propylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-(2,2-dimethylpropyl)-4-phenyl-3-propan-2-ylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;tetrakis(palladium(2+))
SMILESCCCCc1c(-c2ccccc2)c(C(C)C)nn1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)ccc1.CCCc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)ccc2)c(C(C)(C)C)c1-c1ccccc1.CCCc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)ccc2)c(C(C)CC)c1-c1ccccc1.Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C(C)C)c(-c6ccccc6)c5CC(C)(C)C)ccc4)ccc3c3ccccc32)c1.[Pd+2].[Pd+2].[Pd+2].[Pd+2]
InChIInChI=1S/C41H38N4O.3C40H36N4O.4Pd/c1-27(2)40-39(29-13-8-7-9-14-29)37(26-41(4,5)6)45(43-40)30-15-12-16-31(24-30)46-32-19-20-34-33-17-10-11-18-35(33)44(36(34)25-32)38-23-28(3)21-22-42-38;1-6-13-34-38(28-14-8-7-9-15-28)39(40(3,4)5)44(42-34)29-16-12-17-30(25-29)45-31-20-21-33-32-18-10-11-19-35(32)43(36(33)26-31)37-24-27(2)22-23-41-37;1-5-6-18-36-39(29-13-8-7-9-14-29)40(27(2)3)42-44(36)30-15-12-16-31(25-30)45-32-20-21-34-33-17-10-11-19-35(33)43(37(34)26-32)38-24-28(4)22-23-41-38;1-5-13-35-39(29-14-8-7-9-15-29)40(28(4)6-2)44(42-35)30-16-12-17-31(25-30)45-32-20-21-34-33-18-10-11-19-36(33)43(37(34)26-32)38-24-27(3)22-23-41-38;;;;/h7-23,27H,26H2,1-6H3;7-12,14-24H,6,13H2,1-5H3;7-17,19-24,27H,5-6,18H2,1-4H3;7-12,14-24,28H,5-6,13H2,1-4H3;;;;/q4*-2;4*+2
InChIKeyNJTSCHCDDGPTOI-UHFFFAOYSA-N
MW2794.73 g/mol
LogP40.81
Rot. Bonds32

About 2-[3-(5-butan-2-yl-4-phenyl-3-propylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-butyl-4-phenyl-3-propan-2-ylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-tert-butyl-4-phenyl-3-propylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-(2,2-dimethylpropyl)-4-phenyl-3-propan-2-ylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;tetrakis(palladium(2+))

2-[3-(5-butan-2-yl-4-phenyl-3-propylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-butyl-4-phenyl-3-propan-2-ylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-tert-butyl-4-phenyl-3-propylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-(2,2-dimethylpropyl)-4-phenyl-3-propan-2-ylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;tetrakis(palladium(2+)) (PubChem CID 157059736) has the molecular formula C161H146N16O4Pd4 and a molecular weight of 2794.73 g/mol. Its IUPAC name is 2-[3-(5-butan-2-yl-4-phenyl-3-propylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-butyl-4-phenyl-3-propan-2-ylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-tert-butyl-4-phenyl-3-propylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-(2,2-dimethylpropyl)-4-phenyl-3-propan-2-ylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;tetrakis(palladium(2+)).

Molecular Properties

Compound Name2-[3-(5-butan-2-yl-4-phenyl-3-propylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-butyl-4-phenyl-3-propan-2-ylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-tert-butyl-4-phenyl-3-propylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-(2,2-dimethylpropyl)-4-phenyl-3-propan-2-ylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;tetrakis(palladium(2+))
PubChem CID157059736
Molecular FormulaC161H146N16O4Pd4
Molecular Weight2794.73 g/mol
Exact Mass2790.79
IUPAC Name2-[3-(5-butan-2-yl-4-phenyl-3-propylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-butyl-4-phenyl-3-propan-2-ylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-tert-butyl-4-phenyl-3-propylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-(2,2-dimethylpropyl)-4-phenyl-3-propan-2-ylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;tetrakis(palladium(2+))
SMILESCCCCc1c(-c2ccccc2)c(C(C)C)nn1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)ccc1.CCCc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)ccc2)c(C(C)(C)C)c1-c1ccccc1.CCCc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)ccc2)c(C(C)CC)c1-c1ccccc1.Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C(C)C)c(-c6ccccc6)c5CC(C)(C)C)ccc4)ccc3c3ccccc32)c1.[Pd+2].[Pd+2].[Pd+2].[Pd+2]
InChIInChI=1S/C41H38N4O.3C40H36N4O.4Pd/c1-27(2)40-39(29-13-8-7-9-14-29)37(26-41(4,5)6)45(43-40)30-15-12-16-31(24-30)46-32-19-20-34-33-17-10-11-18-35(33)44(36(34)25-32)38-23-28(3)21-22-42-38;1-6-13-34-38(28-14-8-7-9-15-28)39(40(3,4)5)44(42-34)29-16-12-17-30(25-29)45-31-20-21-33-32-18-10-11-19-35(32)43(36(33)26-31)37-24-27(2)22-23-41-37;1-5-6-18-36-39(29-13-8-7-9-14-29)40(27(2)3)42-44(36)30-15-12-16-31(25-30)45-32-20-21-34-33-17-10-11-19-35(33)43(37(34)26-32)38-24-28(4)22-23-41-38;1-5-13-35-39(29-14-8-7-9-15-29)40(28(4)6-2)44(42-35)30-16-12-17-31(25-30)45-32-20-21-34-33-18-10-11-19-36(33)43(37(34)26-32)38-24-27(3)22-23-41-38;;;;/h7-23,27H,26H2,1-6H3;7-12,14-24H,6,13H2,1-5H3;7-17,19-24,27H,5-6,18H2,1-4H3;7-12,14-24,28H,5-6,13H2,1-4H3;;;;/q4*-2;4*+2
InChIKeyNJTSCHCDDGPTOI-UHFFFAOYSA-N
XLogP40.81
TPSA179.48 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds32
Heavy Atoms185
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002794.73
LogP ≤ 540.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 2-[3-(5-butan-2-yl-4-phenyl-3-propylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-butyl-4-phenyl-3-propan-2-ylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-tert-butyl-4-phenyl-3-propylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-(2,2-dimethylpropyl)-4-phenyl-3-propan-2-ylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;tetrakis(palladium(2+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-butan-2-yl-4-phenyl-3-propylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-butyl-4-phenyl-3-propan-2-ylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-tert-butyl-4-phenyl-3-propylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-(2,2-dimethylpropyl)-4-phenyl-3-propan-2-ylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;tetrakis(palladium(2+))?
The IUPAC name of 2-[3-(5-butan-2-yl-4-phenyl-3-propylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-butyl-4-phenyl-3-propan-2-ylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-tert-butyl-4-phenyl-3-propylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-(2,2-dimethylpropyl)-4-phenyl-3-propan-2-ylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;tetrakis(palladium(2+)) (CID 157059736) is 2-[3-(5-butan-2-yl-4-phenyl-3-propylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-butyl-4-phenyl-3-propan-2-ylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-tert-butyl-4-phenyl-3-propylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-(2,2-dimethylpropyl)-4-phenyl-3-propan-2-ylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;tetrakis(palladium(2+)).
What is the SMILES notation for 2-[3-(5-butan-2-yl-4-phenyl-3-propylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-butyl-4-phenyl-3-propan-2-ylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-tert-butyl-4-phenyl-3-propylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-(2,2-dimethylpropyl)-4-phenyl-3-propan-2-ylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;tetrakis(palladium(2+))?
The canonical SMILES for 2-[3-(5-butan-2-yl-4-phenyl-3-propylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-butyl-4-phenyl-3-propan-2-ylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-tert-butyl-4-phenyl-3-propylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-(2,2-dimethylpropyl)-4-phenyl-3-propan-2-ylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;tetrakis(palladium(2+)) is CCCCc1c(-c2ccccc2)c(C(C)C)nn1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)ccc1.CCCc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)ccc2)c(C(C)(C)C)c1-c1ccccc1.CCCc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)ccc2)c(C(C)CC)c1-c1ccccc1.Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C(C)C)c(-c6ccccc6)c5CC(C)(C)C)ccc4)ccc3c3ccccc32)c1.[Pd+2].[Pd+2].[Pd+2].[Pd+2].
What is the InChIKey of 2-[3-(5-butan-2-yl-4-phenyl-3-propylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-butyl-4-phenyl-3-propan-2-ylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-tert-butyl-4-phenyl-3-propylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-(2,2-dimethylpropyl)-4-phenyl-3-propan-2-ylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;tetrakis(palladium(2+))?
The InChIKey is NJTSCHCDDGPTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H38N4O.3C40H36N4O.4Pd/c1-27(2)40-39(29-13-8-7-9-14-29)37(26-41(4,5)6)45(43-40)30-15-12-16-31(24-30)46-32-19-20-34-33-17-10-11-18-35(33)44(36(34)25-32)38-23-28(3)21-22-42-38;1-6-13-34-38(28-14-8-7-9-15-28)39(40(3,4)5)44(42-34)29-16-12-17-30(25-29)45-31-20-21-33-32-18-10-11-19-35(32)43(36(33)26-31)37-24-27(2)22-23-41-37;1-5-6-18-36-39(29-13-8-7-9-14-29)40(27(2)3)42-44(36)30-15-12-16-31(25-30)45-32-20-21-34-33-17-10-11-19-35(33)43(37(34)26-32)38-24-28(4)22-23-41-38;1-5-13-35-39(29-14-8-7-9-15-29)40(28(4)6-2)44(42-35)30-16-12-17-31(25-30)45-32-20-21-34-33-18-10-11-19-36(33)43(37(34)26-32)38-24-27(3)22-23-41-38;;;;/h7-23,27H,26H2,1-6H3;7-12,14-24H,6,13H2,1-5H3;7-17,19-24,27H,5-6,18H2,1-4H3;7-12,14-24,28H,5-6,13H2,1-4H3;;;;/q4*-2;4*+2.
What are the key properties of 2-[3-(5-butan-2-yl-4-phenyl-3-propylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-butyl-4-phenyl-3-propan-2-ylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-tert-butyl-4-phenyl-3-propylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-(2,2-dimethylpropyl)-4-phenyl-3-propan-2-ylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;tetrakis(palladium(2+))?
2-[3-(5-butan-2-yl-4-phenyl-3-propylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-butyl-4-phenyl-3-propan-2-ylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-tert-butyl-4-phenyl-3-propylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-(2,2-dimethylpropyl)-4-phenyl-3-propan-2-ylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;tetrakis(palladium(2+)) has a molecular weight of 2794.73 g/mol, XLogP of 40.81, 32 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-butan-2-yl-4-phenyl-3-propylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-butyl-4-phenyl-3-propan-2-ylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-tert-butyl-4-phenyl-3-propylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-(2,2-dimethylpropyl)-4-phenyl-3-propan-2-ylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;tetrakis(palladium(2+)) is sourced from PubChem (CID 157059736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).