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

C53H42I3N4O2Pd-3 — CID 162461489

IUPACpalladium(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
SMILESCCC[I-]c1cc([I-]CCC)c(-c2cnc3c4[c-]c(Oc5[c-]c6c(cc5)c5ccc7oc8ccccc8c7c5n6-c5ccccn5)ccc4c4ccccc4n23)c([I-]CCC)c1.[Pd+2]
InChIInChI=1S/C53H42I3N4O2.Pd/c1-4-24-54-33-28-42(55-25-5-2)51(43(29-33)56-26-6-3)46-32-58-53-41-30-34(18-20-36(41)37-13-7-9-15-44(37)59(46)53)61-35-19-21-38-39-22-23-48-50(40-14-8-10-16-47(40)62-48)52(39)60(45(38)31-35)49-17-11-12-27-57-49;/h7-23,27-29,32H,4-6,24-26H2,1-3H3;/q-5;+2
InChIKeyAVPACOOXVVQXPQ-UHFFFAOYSA-N
MW1254.08 g/mol
LogP4.10
Rot. Bonds13

About 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

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 (PubChem CID 162461489) has the molecular formula C53H42I3N4O2Pd-3 and a molecular weight of 1254.08 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namepalladium(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
PubChem CID162461489
Molecular FormulaC53H42I3N4O2Pd-3
Molecular Weight1254.08 g/mol
Exact Mass1252.95
IUPAC Namepalladium(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
SMILESCCC[I-]c1cc([I-]CCC)c(-c2cnc3c4[c-]c(Oc5[c-]c6c(cc5)c5ccc7oc8ccccc8c7c5n6-c5ccccn5)ccc4c4ccccc4n23)c([I-]CCC)c1.[Pd+2]
InChIInChI=1S/C53H42I3N4O2.Pd/c1-4-24-54-33-28-42(55-25-5-2)51(43(29-33)56-26-6-3)46-32-58-53-41-30-34(18-20-36(41)37-13-7-9-15-44(37)59(46)53)61-35-19-21-38-39-22-23-48-50(40-14-8-10-16-47(40)62-48)52(39)60(45(38)31-35)49-17-11-12-27-57-49;/h7-23,27-29,32H,4-6,24-26H2,1-3H3;/q-5;+2
InChIKeyAVPACOOXVVQXPQ-UHFFFAOYSA-N
XLogP4.10
TPSA57.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms63
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001254.08
LogP ≤ 54.10
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'}

Analyze 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 with MolForge

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Related Compounds

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
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 170672584
CID 170672584
CID 154611166
CID 154611166
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
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
CID 162487067
CID 162487067
3-(2-phenylphenyl)-11-[(9-pyridin-2-yl-8H-pyrido[3,4-b]indol-8-id-7-yl)oxy]-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;platinum(2+)
CID 153411601

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC[I-]c1cc([I-]CCC)c(-c2cnc3c4[c-]c(Oc5[c-]c6c(cc5)c5ccc7oc8ccccc8c7c5n6-c5ccccn5)ccc4c4ccccc4n23)c([I-]CCC)c1.[Pd+2].
What is the InChIKey of 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?
The InChIKey is AVPACOOXVVQXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H42I3N4O2.Pd/c1-4-24-54-33-28-42(55-25-5-2)51(43(29-33)56-26-6-3)46-32-58-53-41-30-34(18-20-36(41)37-13-7-9-15-44(37)59(46)53)61-35-19-21-38-39-22-23-48-50(40-14-8-10-16-47(40)62-48)52(39)60(45(38)31-35)49-17-11-12-27-57-49;/h7-23,27-29,32H,4-6,24-26H2,1-3H3;/q-5;+2.
What are the key properties of 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?
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 has a molecular weight of 1254.08 g/mol, XLogP of 4.10, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162461489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).