2-[3-[5-butyl-4-(2,6-dimethylphenyl)-3-methylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-butyl-3-ethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-dimethylphenyl)-3-methyl-5-(3-methylbutyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;9-(4-ethyl-2-pyridinyl)-2-[3-[3-methyl-5-(3-methylbutyl)-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;tetrakis(palladium(2+))

C181H186N16O4Pd4 — CID 159504385

IUPAC2-[3-[5-butyl-4-(2,6-dimethylphenyl)-3-methylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-butyl-3-ethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-dimethylphenyl)-3-methyl-5-(3-methylbutyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;9-(4-ethyl-2-pyridinyl)-2-[3-[3-methyl-5-(3-methylbutyl)-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;tetrakis(palladium(2+))
SMILESCCCCc1c(-c2c(C)cc(C)cc2C)c(CC)nn1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(CC)ccn2)cc(C(C)C)c1.CCCCc1c(-c2c(C)cccc2C)c(C)nn1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(CC)ccn2)cc(C(C)C)c1.CCc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)c(-c6c(C)cc(C)cc6C)c5CCC(C)C)cc(C(C)C)c4)ccc3c3ccccc32)c1.CCc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)c(-c6c(C)cccc6C)c5CCC(C)C)cc(C(C)C)c4)ccc3c3ccccc32)c1.[Pd+2].[Pd+2].[Pd+2].[Pd+2]
InChIInChI=1S/2C46H48N4O.C45H46N4O.C44H44N4O.4Pd/c1-10-34-19-20-47-44(23-34)49-41-14-12-11-13-39(41)40-17-16-37(27-43(40)49)51-38-25-35(29(4)5)24-36(26-38)50-42(18-15-28(2)3)46(33(9)48-50)45-31(7)21-30(6)22-32(45)8;1-9-12-16-42-46(45-31(7)22-30(6)23-32(45)8)40(11-3)48-50(42)35-25-34(29(4)5)26-37(27-35)51-36-18-19-39-38-15-13-14-17-41(38)49(43(39)28-36)44-24-33(10-2)20-21-47-44;1-9-33-21-22-46-43(23-33)48-40-16-11-10-15-38(40)39-19-18-36(27-42(39)48)50-37-25-34(29(4)5)24-35(26-37)49-41(20-17-28(2)3)45(32(8)47-49)44-30(6)13-12-14-31(44)7;1-8-10-17-40-44(43-29(5)14-13-15-30(43)6)31(7)46-48(40)34-24-33(28(3)4)25-36(26-34)49-35-19-20-38-37-16-11-12-18-39(37)47(41(38)27-35)42-23-32(9-2)21-22-45-42;;;;/h11-14,16-17,19-25,28-29H,10,15,18H2,1-9H3;13-15,17-26,29H,9-12,16H2,1-8H3;10-16,18-19,21-25,28-29H,9,17,20H2,1-8H3;11-16,18-25,28H,8-10,17H2,1-7H3;;;;/q4*-2;4*+2
InChIKeyAGDYSAAIELQTLL-UHFFFAOYSA-N
MW3075.27 g/mol
LogP46.86
Rot. Bonds41

About 2-[3-[5-butyl-4-(2,6-dimethylphenyl)-3-methylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-butyl-3-ethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-dimethylphenyl)-3-methyl-5-(3-methylbutyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;9-(4-ethyl-2-pyridinyl)-2-[3-[3-methyl-5-(3-methylbutyl)-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;tetrakis(palladium(2+))

2-[3-[5-butyl-4-(2,6-dimethylphenyl)-3-methylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-butyl-3-ethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-dimethylphenyl)-3-methyl-5-(3-methylbutyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;9-(4-ethyl-2-pyridinyl)-2-[3-[3-methyl-5-(3-methylbutyl)-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;tetrakis(palladium(2+)) (PubChem CID 159504385) has the molecular formula C181H186N16O4Pd4 and a molecular weight of 3075.27 g/mol. Its IUPAC name is 2-[3-[5-butyl-4-(2,6-dimethylphenyl)-3-methylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-butyl-3-ethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-dimethylphenyl)-3-methyl-5-(3-methylbutyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;9-(4-ethyl-2-pyridinyl)-2-[3-[3-methyl-5-(3-methylbutyl)-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;tetrakis(palladium(2+)).

Molecular Properties

Compound Name2-[3-[5-butyl-4-(2,6-dimethylphenyl)-3-methylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-butyl-3-ethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-dimethylphenyl)-3-methyl-5-(3-methylbutyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;9-(4-ethyl-2-pyridinyl)-2-[3-[3-methyl-5-(3-methylbutyl)-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;tetrakis(palladium(2+))
PubChem CID159504385
Molecular FormulaC181H186N16O4Pd4
Molecular Weight3075.27 g/mol
Exact Mass3071.10
IUPAC Name2-[3-[5-butyl-4-(2,6-dimethylphenyl)-3-methylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-butyl-3-ethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-dimethylphenyl)-3-methyl-5-(3-methylbutyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;9-(4-ethyl-2-pyridinyl)-2-[3-[3-methyl-5-(3-methylbutyl)-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;tetrakis(palladium(2+))
SMILESCCCCc1c(-c2c(C)cc(C)cc2C)c(CC)nn1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(CC)ccn2)cc(C(C)C)c1.CCCCc1c(-c2c(C)cccc2C)c(C)nn1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(CC)ccn2)cc(C(C)C)c1.CCc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)c(-c6c(C)cc(C)cc6C)c5CCC(C)C)cc(C(C)C)c4)ccc3c3ccccc32)c1.CCc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)c(-c6c(C)cccc6C)c5CCC(C)C)cc(C(C)C)c4)ccc3c3ccccc32)c1.[Pd+2].[Pd+2].[Pd+2].[Pd+2]
InChIInChI=1S/2C46H48N4O.C45H46N4O.C44H44N4O.4Pd/c1-10-34-19-20-47-44(23-34)49-41-14-12-11-13-39(41)40-17-16-37(27-43(40)49)51-38-25-35(29(4)5)24-36(26-38)50-42(18-15-28(2)3)46(33(9)48-50)45-31(7)21-30(6)22-32(45)8;1-9-12-16-42-46(45-31(7)22-30(6)23-32(45)8)40(11-3)48-50(42)35-25-34(29(4)5)26-37(27-35)51-36-18-19-39-38-15-13-14-17-41(38)49(43(39)28-36)44-24-33(10-2)20-21-47-44;1-9-33-21-22-46-43(23-33)48-40-16-11-10-15-38(40)39-19-18-36(27-42(39)48)50-37-25-34(29(4)5)24-35(26-37)49-41(20-17-28(2)3)45(32(8)47-49)44-30(6)13-12-14-31(44)7;1-8-10-17-40-44(43-29(5)14-13-15-30(43)6)31(7)46-48(40)34-24-33(28(3)4)25-36(26-34)49-35-19-20-38-37-16-11-12-18-39(37)47(41(38)27-35)42-23-32(9-2)21-22-45-42;;;;/h11-14,16-17,19-25,28-29H,10,15,18H2,1-9H3;13-15,17-26,29H,9-12,16H2,1-8H3;10-16,18-19,21-25,28-29H,9,17,20H2,1-8H3;11-16,18-25,28H,8-10,17H2,1-7H3;;;;/q4*-2;4*+2
InChIKeyAGDYSAAIELQTLL-UHFFFAOYSA-N
XLogP46.86
TPSA179.48 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds41
Heavy Atoms205
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003075.27
LogP ≤ 546.86
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-butyl-4-(2,6-dimethylphenyl)-3-methylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-butyl-3-ethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-dimethylphenyl)-3-methyl-5-(3-methylbutyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;9-(4-ethyl-2-pyridinyl)-2-[3-[3-methyl-5-(3-methylbutyl)-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;tetrakis(palladium(2+)) with MolForge

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Launch Full Analysis

Related Compounds

9-(4-butyl-2-pyridinyl)-2-[3-[3-methyl-5-(3-methylbutyl)-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;palladium(2+)
CID 153442636
9-(4-ethyl-2-pyridinyl)-2-[3-[3-methyl-5-(3-methylbutyl)-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
CID 153416438
2-[3-[5-butyl-3-methyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
CID 153418003
2-[3-[5-butyl-4-(2,6-dimethylphenyl)-3-methylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;palladium(2+)
CID 153443279
2-[3-[3,5-dibutyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
CID 153443609
2-[3-[4-(2,6-dimethylphenyl)-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
CID 153443606
9-(4-butyl-2-pyridinyl)-2-[3-[3,5-dipropyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
CID 153416490
2-[3-[3,5-dipropyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
CID 153442956
2-[3-[4-(2,6-dimethylphenyl)-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
CID 153418094
2-[3-[5-butyl-3-ethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
CID 153443549
9-(4-butyl-2-pyridinyl)-2-[3-[4-(2,6-diethylphenyl)-3,5-diethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
CID 153416102
2-[3-tert-butyl-5-[5-butyl-3-methyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
CID 153416833

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-butyl-4-(2,6-dimethylphenyl)-3-methylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-butyl-3-ethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-dimethylphenyl)-3-methyl-5-(3-methylbutyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;9-(4-ethyl-2-pyridinyl)-2-[3-[3-methyl-5-(3-methylbutyl)-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;tetrakis(palladium(2+))?
The IUPAC name of 2-[3-[5-butyl-4-(2,6-dimethylphenyl)-3-methylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-butyl-3-ethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-dimethylphenyl)-3-methyl-5-(3-methylbutyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;9-(4-ethyl-2-pyridinyl)-2-[3-[3-methyl-5-(3-methylbutyl)-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;tetrakis(palladium(2+)) (CID 159504385) is 2-[3-[5-butyl-4-(2,6-dimethylphenyl)-3-methylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-butyl-3-ethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-dimethylphenyl)-3-methyl-5-(3-methylbutyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;9-(4-ethyl-2-pyridinyl)-2-[3-[3-methyl-5-(3-methylbutyl)-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;tetrakis(palladium(2+)).
What is the SMILES notation for 2-[3-[5-butyl-4-(2,6-dimethylphenyl)-3-methylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-butyl-3-ethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-dimethylphenyl)-3-methyl-5-(3-methylbutyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;9-(4-ethyl-2-pyridinyl)-2-[3-[3-methyl-5-(3-methylbutyl)-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;tetrakis(palladium(2+))?
The canonical SMILES for 2-[3-[5-butyl-4-(2,6-dimethylphenyl)-3-methylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-butyl-3-ethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-dimethylphenyl)-3-methyl-5-(3-methylbutyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;9-(4-ethyl-2-pyridinyl)-2-[3-[3-methyl-5-(3-methylbutyl)-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;tetrakis(palladium(2+)) is CCCCc1c(-c2c(C)cc(C)cc2C)c(CC)nn1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(CC)ccn2)cc(C(C)C)c1.CCCCc1c(-c2c(C)cccc2C)c(C)nn1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(CC)ccn2)cc(C(C)C)c1.CCc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)c(-c6c(C)cc(C)cc6C)c5CCC(C)C)cc(C(C)C)c4)ccc3c3ccccc32)c1.CCc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)c(-c6c(C)cccc6C)c5CCC(C)C)cc(C(C)C)c4)ccc3c3ccccc32)c1.[Pd+2].[Pd+2].[Pd+2].[Pd+2].
What is the InChIKey of 2-[3-[5-butyl-4-(2,6-dimethylphenyl)-3-methylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-butyl-3-ethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-dimethylphenyl)-3-methyl-5-(3-methylbutyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;9-(4-ethyl-2-pyridinyl)-2-[3-[3-methyl-5-(3-methylbutyl)-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;tetrakis(palladium(2+))?
The InChIKey is AGDYSAAIELQTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C46H48N4O.C45H46N4O.C44H44N4O.4Pd/c1-10-34-19-20-47-44(23-34)49-41-14-12-11-13-39(41)40-17-16-37(27-43(40)49)51-38-25-35(29(4)5)24-36(26-38)50-42(18-15-28(2)3)46(33(9)48-50)45-31(7)21-30(6)22-32(45)8;1-9-12-16-42-46(45-31(7)22-30(6)23-32(45)8)40(11-3)48-50(42)35-25-34(29(4)5)26-37(27-35)51-36-18-19-39-38-15-13-14-17-41(38)49(43(39)28-36)44-24-33(10-2)20-21-47-44;1-9-33-21-22-46-43(23-33)48-40-16-11-10-15-38(40)39-19-18-36(27-42(39)48)50-37-25-34(29(4)5)24-35(26-37)49-41(20-17-28(2)3)45(32(8)47-49)44-30(6)13-12-14-31(44)7;1-8-10-17-40-44(43-29(5)14-13-15-30(43)6)31(7)46-48(40)34-24-33(28(3)4)25-36(26-34)49-35-19-20-38-37-16-11-12-18-39(37)47(41(38)27-35)42-23-32(9-2)21-22-45-42;;;;/h11-14,16-17,19-25,28-29H,10,15,18H2,1-9H3;13-15,17-26,29H,9-12,16H2,1-8H3;10-16,18-19,21-25,28-29H,9,17,20H2,1-8H3;11-16,18-25,28H,8-10,17H2,1-7H3;;;;/q4*-2;4*+2.
What are the key properties of 2-[3-[5-butyl-4-(2,6-dimethylphenyl)-3-methylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-butyl-3-ethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-dimethylphenyl)-3-methyl-5-(3-methylbutyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;9-(4-ethyl-2-pyridinyl)-2-[3-[3-methyl-5-(3-methylbutyl)-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;tetrakis(palladium(2+))?
2-[3-[5-butyl-4-(2,6-dimethylphenyl)-3-methylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-butyl-3-ethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-dimethylphenyl)-3-methyl-5-(3-methylbutyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;9-(4-ethyl-2-pyridinyl)-2-[3-[3-methyl-5-(3-methylbutyl)-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;tetrakis(palladium(2+)) has a molecular weight of 3075.27 g/mol, XLogP of 46.86, 41 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-butyl-4-(2,6-dimethylphenyl)-3-methylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-butyl-3-ethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-dimethylphenyl)-3-methyl-5-(3-methylbutyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;9-(4-ethyl-2-pyridinyl)-2-[3-[3-methyl-5-(3-methylbutyl)-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;tetrakis(palladium(2+)) is sourced from PubChem (CID 159504385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).