2-[3-(2,6-dimethyl-4-phenylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-(2,6-dimethyl-4-phenylphenyl)-5-pyridin-2-ylphenoxy]-9-pyridin-2-ylcarbazole;palladium(2+)

C84H60N6O2Pd — CID 157190267

IUPAC2-[3-(2,6-dimethyl-4-phenylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-(2,6-dimethyl-4-phenylphenyl)-5-pyridin-2-ylphenoxy]-9-pyridin-2-ylcarbazole;palladium(2+)
SMILESCc1cc(-c2ccccc2)cc(C)c1-c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)[c-]c(-c2ccccn2)c1.Cc1cc(-c2ccccc2)cc(C)c1-c1cc(Oc2ccc3c4ccccc4n(-c4ccccn4)c3c2)cc(-c2ccccn2)c1.[Pd+2]
InChIInChI=1S/C42H31N3O.C42H29N3O.Pd/c2*1-28-22-31(30-12-4-3-5-13-30)23-29(2)42(28)33-24-32(38-15-8-10-20-43-38)25-35(26-33)46-34-18-19-37-36-14-6-7-16-39(36)45(40(37)27-34)41-17-9-11-21-44-41;/h3-27H,1-2H3;3-24,26H,1-2H3;/q;-2;+2
InChIKeyFBGMWEVUMVFEKZ-UHFFFAOYSA-N
MW1291.86 g/mol
LogP21.57
Rot. Bonds12

About 2-[3-(2,6-dimethyl-4-phenylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-(2,6-dimethyl-4-phenylphenyl)-5-pyridin-2-ylphenoxy]-9-pyridin-2-ylcarbazole;palladium(2+)

2-[3-(2,6-dimethyl-4-phenylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-(2,6-dimethyl-4-phenylphenyl)-5-pyridin-2-ylphenoxy]-9-pyridin-2-ylcarbazole;palladium(2+) (PubChem CID 157190267) has the molecular formula C84H60N6O2Pd and a molecular weight of 1291.86 g/mol. Its IUPAC name is 2-[3-(2,6-dimethyl-4-phenylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-(2,6-dimethyl-4-phenylphenyl)-5-pyridin-2-ylphenoxy]-9-pyridin-2-ylcarbazole;palladium(2+).

Molecular Properties

Compound Name2-[3-(2,6-dimethyl-4-phenylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-(2,6-dimethyl-4-phenylphenyl)-5-pyridin-2-ylphenoxy]-9-pyridin-2-ylcarbazole;palladium(2+)
PubChem CID157190267
Molecular FormulaC84H60N6O2Pd
Molecular Weight1291.86 g/mol
Exact Mass1290.38
IUPAC Name2-[3-(2,6-dimethyl-4-phenylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-(2,6-dimethyl-4-phenylphenyl)-5-pyridin-2-ylphenoxy]-9-pyridin-2-ylcarbazole;palladium(2+)
SMILESCc1cc(-c2ccccc2)cc(C)c1-c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)[c-]c(-c2ccccn2)c1.Cc1cc(-c2ccccc2)cc(C)c1-c1cc(Oc2ccc3c4ccccc4n(-c4ccccn4)c3c2)cc(-c2ccccn2)c1.[Pd+2]
InChIInChI=1S/C42H31N3O.C42H29N3O.Pd/c2*1-28-22-31(30-12-4-3-5-13-30)23-29(2)42(28)33-24-32(38-15-8-10-20-43-38)25-35(26-33)46-34-18-19-37-36-14-6-7-16-39(36)45(40(37)27-34)41-17-9-11-21-44-41;/h3-27H,1-2H3;3-24,26H,1-2H3;/q;-2;+2
InChIKeyFBGMWEVUMVFEKZ-UHFFFAOYSA-N
XLogP21.57
TPSA79.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001291.86
LogP ≤ 521.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[3-(2,6-dimethyl-4-phenylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-(2,6-dimethyl-4-phenylphenyl)-5-pyridin-2-ylphenoxy]-9-pyridin-2-ylcarbazole;palladium(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]phenoxy]-9-pyridin-2-ylcarbazole
CID 90290347
9-(4-methyl-2-pyridinyl)-2-[3-[5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-[3-[5-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazin-2-yl]phenoxy]carbazole;bis(palladium(2+))
CID 160782009
2-(3-cinnolin-3-yl-5-phenylphenoxy)-9-pyridin-2-ylcarbazole
CID 153465697
2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole;platinum(2+)
CID 159758959
2-[3-[3-(2,4-difluorophenyl)-2H-benzimidazol-1-yl]-5-(2,6-dimethyl-4-phenylphenyl)phenoxy]-9-pyridin-2-ylcarbazole
CID 172534222
11-(9-pyridin-2-ylcarbazol-2-yl)oxy-6-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridine
CID 154610805
acetic acid;2-(2-methylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(2-methylphenyl)-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine;platinum(2+)
CID 163880827
2-[3-(2,6-dimethyl-4-phenylphenyl)-5-[3-[4-(2-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
CID 172534383
1,2,7,8-tetramethyl-9-[2-[2-(3-pyridin-2-ylphenoxy)carbazol-9-yl]-4-pyridinyl]carbazole
CID 171769380
7-(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154610827
2-[3-(3,5-dimethyl-4-pyridin-2-ylpyrazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 140729894
1,8-dimethyl-9-[2-[2-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]carbazole;platinum(2+)
CID 171769510

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,6-dimethyl-4-phenylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-(2,6-dimethyl-4-phenylphenyl)-5-pyridin-2-ylphenoxy]-9-pyridin-2-ylcarbazole;palladium(2+)?
The IUPAC name of 2-[3-(2,6-dimethyl-4-phenylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-(2,6-dimethyl-4-phenylphenyl)-5-pyridin-2-ylphenoxy]-9-pyridin-2-ylcarbazole;palladium(2+) (CID 157190267) is 2-[3-(2,6-dimethyl-4-phenylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-(2,6-dimethyl-4-phenylphenyl)-5-pyridin-2-ylphenoxy]-9-pyridin-2-ylcarbazole;palladium(2+).
What is the SMILES notation for 2-[3-(2,6-dimethyl-4-phenylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-(2,6-dimethyl-4-phenylphenyl)-5-pyridin-2-ylphenoxy]-9-pyridin-2-ylcarbazole;palladium(2+)?
The canonical SMILES for 2-[3-(2,6-dimethyl-4-phenylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-(2,6-dimethyl-4-phenylphenyl)-5-pyridin-2-ylphenoxy]-9-pyridin-2-ylcarbazole;palladium(2+) is Cc1cc(-c2ccccc2)cc(C)c1-c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)[c-]c(-c2ccccn2)c1.Cc1cc(-c2ccccc2)cc(C)c1-c1cc(Oc2ccc3c4ccccc4n(-c4ccccn4)c3c2)cc(-c2ccccn2)c1.[Pd+2].
What is the InChIKey of 2-[3-(2,6-dimethyl-4-phenylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-(2,6-dimethyl-4-phenylphenyl)-5-pyridin-2-ylphenoxy]-9-pyridin-2-ylcarbazole;palladium(2+)?
The InChIKey is FBGMWEVUMVFEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31N3O.C42H29N3O.Pd/c2*1-28-22-31(30-12-4-3-5-13-30)23-29(2)42(28)33-24-32(38-15-8-10-20-43-38)25-35(26-33)46-34-18-19-37-36-14-6-7-16-39(36)45(40(37)27-34)41-17-9-11-21-44-41;/h3-27H,1-2H3;3-24,26H,1-2H3;/q;-2;+2.
What are the key properties of 2-[3-(2,6-dimethyl-4-phenylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-(2,6-dimethyl-4-phenylphenyl)-5-pyridin-2-ylphenoxy]-9-pyridin-2-ylcarbazole;palladium(2+)?
2-[3-(2,6-dimethyl-4-phenylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-(2,6-dimethyl-4-phenylphenyl)-5-pyridin-2-ylphenoxy]-9-pyridin-2-ylcarbazole;palladium(2+) has a molecular weight of 1291.86 g/mol, XLogP of 21.57, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,6-dimethyl-4-phenylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-(2,6-dimethyl-4-phenylphenyl)-5-pyridin-2-ylphenoxy]-9-pyridin-2-ylcarbazole;palladium(2+) is sourced from PubChem (CID 157190267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).