2-[2,6-dimethyl-4-(2-methylbutyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+);2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide

C52H46N4Pt — CID 59358319

IUPAC2-[2,6-dimethyl-4-(2-methylbutyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+);2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
SMILESCCC(C)Cc1cc(C)c(-c2cn3c4ccccc4c4ccc[c-]c4c3n2)c(C)c1.Cc1cc(C)c(-c2cn3c4ccccc4c4ccc[c-]c4c3n2)c(C)c1.[Pt+2]
InChIInChI=1S/C28H27N2.C24H19N2.Pt/c1-5-18(2)14-21-15-19(3)27(20(4)16-21)25-17-30-26-13-9-8-11-23(26)22-10-6-7-12-24(22)28(30)29-25;1-15-12-16(2)23(17(3)13-15)21-14-26-22-11-7-6-9-19(22)18-8-4-5-10-20(18)24(26)25-21;/h6-11,13,15-18H,5,14H2,1-4H3;4-9,11-14H,1-3H3;/q2*-1;+2
InChIKeyDHKMKNZOMREWTK-UHFFFAOYSA-N
MW922.05 g/mol
LogP13.34
Rot. Bonds5

About 2-[2,6-dimethyl-4-(2-methylbutyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+);2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide

2-[2,6-dimethyl-4-(2-methylbutyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+);2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide (PubChem CID 59358319) has the molecular formula C52H46N4Pt and a molecular weight of 922.05 g/mol. Its IUPAC name is 2-[2,6-dimethyl-4-(2-methylbutyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+);2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide.

Molecular Properties

Compound Name2-[2,6-dimethyl-4-(2-methylbutyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+);2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
PubChem CID59358319
Molecular FormulaC52H46N4Pt
Molecular Weight922.05 g/mol
Exact Mass921.34
IUPAC Name2-[2,6-dimethyl-4-(2-methylbutyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+);2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
SMILESCCC(C)Cc1cc(C)c(-c2cn3c4ccccc4c4ccc[c-]c4c3n2)c(C)c1.Cc1cc(C)c(-c2cn3c4ccccc4c4ccc[c-]c4c3n2)c(C)c1.[Pt+2]
InChIInChI=1S/C28H27N2.C24H19N2.Pt/c1-5-18(2)14-21-15-19(3)27(20(4)16-21)25-17-30-26-13-9-8-11-23(26)22-10-6-7-12-24(22)28(30)29-25;1-15-12-16(2)23(17(3)13-15)21-14-26-22-11-7-6-9-19(22)18-8-4-5-10-20(18)24(26)25-21;/h6-11,13,15-18H,5,14H2,1-4H3;4-9,11-14H,1-3H3;/q2*-1;+2
InChIKeyDHKMKNZOMREWTK-UHFFFAOYSA-N
XLogP13.34
TPSA34.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500922.05
LogP ≤ 513.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-tert-butylphenyl)-5-[4-[4-(2-methylbutyl)phenyl]phenyl]-1,3,4-oxadiazole;9-[3-carbazol-9-yl-5-(2-methylbutyl)phenyl]carbazole;3-(3-carbazol-9-ylphenyl)-9-[3-(2-methylbutyl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[4-(2-methylbutyl)phenyl]carbazole;2-[2,6-dimethyl-4-(2-methylbutyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;5-methyl-7-[4-(2-methylbutyl)phenyl]-2-(2-methylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;5-methyl-2-(2-methylphenyl)-7-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide;bis(platinum(2+));2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 159812885
carbanide;2-methoxy-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+);yttrium
CID 58162733
2-(2,4-dimethyl-6-pentylphenyl)imidazo[1,2-f]phenanthridine
CID 70882553
carbanide;iridium;2-methoxy-12H-imidazo[1,2-f]phenanthridin-12-ide;yttrium
CID 58162772
platinum(2+);11-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 164704087
platinum(2+);11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)oxy-2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 164703962
CID 162219081
CID 162219081
2,6-dimethyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 59358830
CID 164703902
CID 164703902
magnesium;5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iodide
CID 58162949
CID 164703843
CID 164703843
CID 164703913
CID 164703913

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dimethyl-4-(2-methylbutyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+);2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide?
The IUPAC name of 2-[2,6-dimethyl-4-(2-methylbutyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+);2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide (CID 59358319) is 2-[2,6-dimethyl-4-(2-methylbutyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+);2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide.
What is the SMILES notation for 2-[2,6-dimethyl-4-(2-methylbutyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+);2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide?
The canonical SMILES for 2-[2,6-dimethyl-4-(2-methylbutyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+);2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide is CCC(C)Cc1cc(C)c(-c2cn3c4ccccc4c4ccc[c-]c4c3n2)c(C)c1.Cc1cc(C)c(-c2cn3c4ccccc4c4ccc[c-]c4c3n2)c(C)c1.[Pt+2].
What is the InChIKey of 2-[2,6-dimethyl-4-(2-methylbutyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+);2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide?
The InChIKey is DHKMKNZOMREWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N2.C24H19N2.Pt/c1-5-18(2)14-21-15-19(3)27(20(4)16-21)25-17-30-26-13-9-8-11-23(26)22-10-6-7-12-24(22)28(30)29-25;1-15-12-16(2)23(17(3)13-15)21-14-26-22-11-7-6-9-19(22)18-8-4-5-10-20(18)24(26)25-21;/h6-11,13,15-18H,5,14H2,1-4H3;4-9,11-14H,1-3H3;/q2*-1;+2.
What are the key properties of 2-[2,6-dimethyl-4-(2-methylbutyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+);2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide?
2-[2,6-dimethyl-4-(2-methylbutyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+);2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide has a molecular weight of 922.05 g/mol, XLogP of 13.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dimethyl-4-(2-methylbutyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+);2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide is sourced from PubChem (CID 59358319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).