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+))

C104H68N12O4Pd2 — CID 160782009

IUPAC9-(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+))
SMILESCc1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5cnc(-c6[c-]c(Oc7[c-]c8c(cc7)c7ccccc7n8-c7cc(C)ccn7)ccc6)cn5)ccc4)ccc3c3ccccc32)c1.Cc1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-c5cnc(-c6cccc(Oc7ccc8c9ccccc9n(-c9cc(C)ccn9)c8c7)c6)cn5)c4)cc32)c1.[Pd+2].[Pd+2]
InChIInChI=1S/C52H36N6O2.C52H32N6O2.2Pd/c2*1-33-21-23-53-51(25-33)57-47-15-5-3-13-41(47)43-19-17-39(29-49(43)57)59-37-11-7-9-35(27-37)45-31-56-46(32-55-45)36-10-8-12-38(28-36)60-40-18-20-44-42-14-4-6-16-48(42)58(50(44)30-40)52-26-34(2)22-24-54-52;;/h3-32H,1-2H3;3-26,31-32H,1-2H3;;/q;-4;2*+2
InChIKeyORGMIGWJXAAWAO-UHFFFAOYSA-N
MW1762.61 g/mol
LogP25.19
Rot. Bonds16

About 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+))

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+)) (PubChem CID 160782009) has the molecular formula C104H68N12O4Pd2 and a molecular weight of 1762.61 g/mol. Its IUPAC name is 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+)).

Molecular Properties

Compound Name9-(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+))
PubChem CID160782009
Molecular FormulaC104H68N12O4Pd2
Molecular Weight1762.61 g/mol
Exact Mass1760.36
IUPAC Name9-(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+))
SMILESCc1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5cnc(-c6[c-]c(Oc7[c-]c8c(cc7)c7ccccc7n8-c7cc(C)ccn7)ccc6)cn5)ccc4)ccc3c3ccccc32)c1.Cc1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-c5cnc(-c6cccc(Oc7ccc8c9ccccc9n(-c9cc(C)ccn9)c8c7)c6)cn5)c4)cc32)c1.[Pd+2].[Pd+2]
InChIInChI=1S/C52H36N6O2.C52H32N6O2.2Pd/c2*1-33-21-23-53-51(25-33)57-47-15-5-3-13-41(47)43-19-17-39(29-49(43)57)59-37-11-7-9-35(27-37)45-31-56-46(32-55-45)36-10-8-12-38(28-36)60-40-18-20-44-42-14-4-6-16-48(42)58(50(44)30-40)52-26-34(2)22-24-54-52;;/h3-32H,1-2H3;3-26,31-32H,1-2H3;;/q;-4;2*+2
InChIKeyORGMIGWJXAAWAO-UHFFFAOYSA-N
XLogP25.19
TPSA159.76 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms122
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001762.61
LogP ≤ 525.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 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+)) with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 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+))?
The IUPAC name of 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) is 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+)).
What is the SMILES notation for 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+))?
The canonical SMILES for 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+)) is Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5cnc(-c6[c-]c(Oc7[c-]c8c(cc7)c7ccccc7n8-c7cc(C)ccn7)ccc6)cn5)ccc4)ccc3c3ccccc32)c1.Cc1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-c5cnc(-c6cccc(Oc7ccc8c9ccccc9n(-c9cc(C)ccn9)c8c7)c6)cn5)c4)cc32)c1.[Pd+2].[Pd+2].
What is the InChIKey of 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+))?
The InChIKey is ORGMIGWJXAAWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N6O2.C52H32N6O2.2Pd/c2*1-33-21-23-53-51(25-33)57-47-15-5-3-13-41(47)43-19-17-39(29-49(43)57)59-37-11-7-9-35(27-37)45-31-56-46(32-55-45)36-10-8-12-38(28-36)60-40-18-20-44-42-14-4-6-16-48(42)58(50(44)30-40)52-26-34(2)22-24-54-52;;/h3-32H,1-2H3;3-26,31-32H,1-2H3;;/q;-4;2*+2.
What are the key properties of 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+))?
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+)) has a molecular weight of 1762.61 g/mol, XLogP of 25.19, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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+)) is sourced from PubChem (CID 160782009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).