10-[[3-[2,6-bis(propyliodanuidyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-12-pyridin-2-yl-11H-[1]benzofuro[3,2-a]carbazol-11-ide;palladium(2+)

C50H36I2N4O2Pd-2 — CID 162461497

IUPAC10-[[3-[2,6-bis(propyliodanuidyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-12-pyridin-2-yl-11H-[1]benzofuro[3,2-a]carbazol-11-ide;palladium(2+)
SMILESCCC[I-]c1cccc([I-]CCC)c1-c1cnc2c3[c-]c(Oc4[c-]c5c(cc4)c4ccc6oc7ccccc7c6c4n5-c4ccccn4)ccc3c3ccccc3n12.[Pd+2]
InChIInChI=1S/C50H36I2N4O2.Pd/c1-3-25-51-39-14-11-15-40(52-26-4-2)48(39)43-30-54-50-38-28-31(19-21-33(38)34-12-5-7-16-41(34)55(43)50)57-32-20-22-35-36-23-24-45-47(37-13-6-8-17-44(37)58-45)49(36)56(42(35)29-32)46-18-9-10-27-53-46;/h5-24,27,30H,3-4,25-26H2,1-2H3;/q-4;+2
InChIKeyJOMZPGZJEMTQLO-UHFFFAOYSA-N
MW1085.09 g/mol
LogP6.43
Rot. Bonds10

About 10-[[3-[2,6-bis(propyliodanuidyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-12-pyridin-2-yl-11H-[1]benzofuro[3,2-a]carbazol-11-ide;palladium(2+)

10-[[3-[2,6-bis(propyliodanuidyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-12-pyridin-2-yl-11H-[1]benzofuro[3,2-a]carbazol-11-ide;palladium(2+) (PubChem CID 162461497) has the molecular formula C50H36I2N4O2Pd-2 and a molecular weight of 1085.09 g/mol. Its IUPAC name is 10-[[3-[2,6-bis(propyliodanuidyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-12-pyridin-2-yl-11H-[1]benzofuro[3,2-a]carbazol-11-ide;palladium(2+).

Molecular Properties

Compound Name10-[[3-[2,6-bis(propyliodanuidyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-12-pyridin-2-yl-11H-[1]benzofuro[3,2-a]carbazol-11-ide;palladium(2+)
PubChem CID162461497
Molecular FormulaC50H36I2N4O2Pd-2
Molecular Weight1085.09 g/mol
Exact Mass1084.00
IUPAC Name10-[[3-[2,6-bis(propyliodanuidyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-12-pyridin-2-yl-11H-[1]benzofuro[3,2-a]carbazol-11-ide;palladium(2+)
SMILESCCC[I-]c1cccc([I-]CCC)c1-c1cnc2c3[c-]c(Oc4[c-]c5c(cc4)c4ccc6oc7ccccc7c6c4n5-c4ccccn4)ccc3c3ccccc3n12.[Pd+2]
InChIInChI=1S/C50H36I2N4O2.Pd/c1-3-25-51-39-14-11-15-40(52-26-4-2)48(39)43-30-54-50-38-28-31(19-21-33(38)34-12-5-7-16-41(34)55(43)50)57-32-20-22-35-36-23-24-45-47(37-13-6-8-17-44(37)58-45)49(36)56(42(35)29-32)46-18-9-10-27-53-46;/h5-24,27,30H,3-4,25-26H2,1-2H3;/q-4;+2
InChIKeyJOMZPGZJEMTQLO-UHFFFAOYSA-N
XLogP6.43
TPSA57.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001085.09
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

palladium(2+);12-pyridin-2-yl-10-[[3-[2,4,6-tris(propyliodanuidyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-11H-[1]benzofuro[3,2-a]carbazol-11-ide
CID 162461489
platinum(2+);3,5,7-tris(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 154611558
3,5-bis(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;3,6-bis(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;3,7-bis(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;3,8-bis(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(platinum(2+));3,5,6-tris(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 158232225
CID 153429014
CID 153429014
CID 154610967
CID 154610967
3-[2,6-di(propan-2-yl)phenyl]-11-[[3-[2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 140593918
CID 154610877
CID 154610877
CID 170672584
CID 170672584
5-tert-butyl-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154610586
CID 154611166
CID 154611166
2-methyl-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-ide;platinum(2+)
CID 153411698
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

Frequently Asked Questions

What is the IUPAC name of 10-[[3-[2,6-bis(propyliodanuidyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-12-pyridin-2-yl-11H-[1]benzofuro[3,2-a]carbazol-11-ide;palladium(2+)?
The IUPAC name of 10-[[3-[2,6-bis(propyliodanuidyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-12-pyridin-2-yl-11H-[1]benzofuro[3,2-a]carbazol-11-ide;palladium(2+) (CID 162461497) is 10-[[3-[2,6-bis(propyliodanuidyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-12-pyridin-2-yl-11H-[1]benzofuro[3,2-a]carbazol-11-ide;palladium(2+).
What is the SMILES notation for 10-[[3-[2,6-bis(propyliodanuidyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-12-pyridin-2-yl-11H-[1]benzofuro[3,2-a]carbazol-11-ide;palladium(2+)?
The canonical SMILES for 10-[[3-[2,6-bis(propyliodanuidyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-12-pyridin-2-yl-11H-[1]benzofuro[3,2-a]carbazol-11-ide;palladium(2+) is CCC[I-]c1cccc([I-]CCC)c1-c1cnc2c3[c-]c(Oc4[c-]c5c(cc4)c4ccc6oc7ccccc7c6c4n5-c4ccccn4)ccc3c3ccccc3n12.[Pd+2].
What is the InChIKey of 10-[[3-[2,6-bis(propyliodanuidyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-12-pyridin-2-yl-11H-[1]benzofuro[3,2-a]carbazol-11-ide;palladium(2+)?
The InChIKey is JOMZPGZJEMTQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36I2N4O2.Pd/c1-3-25-51-39-14-11-15-40(52-26-4-2)48(39)43-30-54-50-38-28-31(19-21-33(38)34-12-5-7-16-41(34)55(43)50)57-32-20-22-35-36-23-24-45-47(37-13-6-8-17-44(37)58-45)49(36)56(42(35)29-32)46-18-9-10-27-53-46;/h5-24,27,30H,3-4,25-26H2,1-2H3;/q-4;+2.
What are the key properties of 10-[[3-[2,6-bis(propyliodanuidyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-12-pyridin-2-yl-11H-[1]benzofuro[3,2-a]carbazol-11-ide;palladium(2+)?
10-[[3-[2,6-bis(propyliodanuidyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-12-pyridin-2-yl-11H-[1]benzofuro[3,2-a]carbazol-11-ide;palladium(2+) has a molecular weight of 1085.09 g/mol, XLogP of 6.43, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[[3-[2,6-bis(propyliodanuidyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-12-pyridin-2-yl-11H-[1]benzofuro[3,2-a]carbazol-11-ide;palladium(2+) is sourced from PubChem (CID 162461497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).