N,N-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-id-7-amine;2-ethoxy-12H-imidazo[1,2-f]phenanthridin-12-ide;12H-imidazo[1,2-f]phenanthridin-12-ide-10-carbonitrile;pentakis(iridium);3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-methylsulfanyl-12H-imidazo[1,2-f]phenanthridin-12-ide

C82H57Ir5N12OS-5 — CID 159110677

IUPACN,N-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-id-7-amine;2-ethoxy-12H-imidazo[1,2-f]phenanthridin-12-ide;12H-imidazo[1,2-f]phenanthridin-12-ide-10-carbonitrile;pentakis(iridium);3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-methylsulfanyl-12H-imidazo[1,2-f]phenanthridin-12-ide
SMILESCCOc1cn2c3ccccc3c3ccc[c-]c3c2n1.CN(C)c1ccc2c(c1)c1ccc[c-]c1c1nccn21.CSc1cn2c3ccccc3c3ccc[c-]c3c2n1.Cc1cnc2c3[c-]cccc3c3ccccc3n12.N#Cc1c[c-]c2c(c1)c1ccccc1n1ccnc21.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C17H14N3.C17H13N2O.C16H8N3.C16H11N2S.C16H11N2.5Ir/c1-19(2)12-7-8-16-15(11-12)13-5-3-4-6-14(13)17-18-9-10-20(16)17;1-2-20-16-11-19-15-10-6-5-8-13(15)12-7-3-4-9-14(12)17(19)18-16;17-10-11-5-6-13-14(9-11)12-3-1-2-4-15(12)19-8-7-18-16(13)19;1-19-15-10-18-14-9-5-4-7-12(14)11-6-2-3-8-13(11)16(18)17-15;1-11-10-17-16-14-8-3-2-6-12(14)13-7-4-5-9-15(13)18(11)16;;;;;/h3-5,7-11H,1-2H3;3-8,10-11H,2H2,1H3;1-5,7-9H;2-7,9-10H,1H3;2-7,9-10H,1H3;;;;;/q5*-1;;;;;
InChIKeyZMNUZYJAPWYIMC-UHFFFAOYSA-N
MW2219.59 g/mol
LogP18.56
Rot. Bonds4

About N,N-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-id-7-amine;2-ethoxy-12H-imidazo[1,2-f]phenanthridin-12-ide;12H-imidazo[1,2-f]phenanthridin-12-ide-10-carbonitrile;pentakis(iridium);3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-methylsulfanyl-12H-imidazo[1,2-f]phenanthridin-12-ide

N,N-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-id-7-amine;2-ethoxy-12H-imidazo[1,2-f]phenanthridin-12-ide;12H-imidazo[1,2-f]phenanthridin-12-ide-10-carbonitrile;pentakis(iridium);3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-methylsulfanyl-12H-imidazo[1,2-f]phenanthridin-12-ide (PubChem CID 159110677) has the molecular formula C82H57Ir5N12OS-5 and a molecular weight of 2219.59 g/mol. Its IUPAC name is N,N-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-id-7-amine;2-ethoxy-12H-imidazo[1,2-f]phenanthridin-12-ide;12H-imidazo[1,2-f]phenanthridin-12-ide-10-carbonitrile;pentakis(iridium);3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-methylsulfanyl-12H-imidazo[1,2-f]phenanthridin-12-ide.

Molecular Properties

Compound NameN,N-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-id-7-amine;2-ethoxy-12H-imidazo[1,2-f]phenanthridin-12-ide;12H-imidazo[1,2-f]phenanthridin-12-ide-10-carbonitrile;pentakis(iridium);3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-methylsulfanyl-12H-imidazo[1,2-f]phenanthridin-12-ide
PubChem CID159110677
Molecular FormulaC82H57Ir5N12OS-5
Molecular Weight2219.59 g/mol
Exact Mass2222.27
IUPAC NameN,N-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-id-7-amine;2-ethoxy-12H-imidazo[1,2-f]phenanthridin-12-ide;12H-imidazo[1,2-f]phenanthridin-12-ide-10-carbonitrile;pentakis(iridium);3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-methylsulfanyl-12H-imidazo[1,2-f]phenanthridin-12-ide
SMILESCCOc1cn2c3ccccc3c3ccc[c-]c3c2n1.CN(C)c1ccc2c(c1)c1ccc[c-]c1c1nccn21.CSc1cn2c3ccccc3c3ccc[c-]c3c2n1.Cc1cnc2c3[c-]cccc3c3ccccc3n12.N#Cc1c[c-]c2c(c1)c1ccccc1n1ccnc21.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C17H14N3.C17H13N2O.C16H8N3.C16H11N2S.C16H11N2.5Ir/c1-19(2)12-7-8-16-15(11-12)13-5-3-4-6-14(13)17-18-9-10-20(16)17;1-2-20-16-11-19-15-10-6-5-8-13(15)12-7-3-4-9-14(12)17(19)18-16;17-10-11-5-6-13-14(9-11)12-3-1-2-4-15(12)19-8-7-18-16(13)19;1-19-15-10-18-14-9-5-4-7-12(14)11-6-2-3-8-13(11)16(18)17-15;1-11-10-17-16-14-8-3-2-6-12(14)13-7-4-5-9-15(13)18(11)16;;;;;/h3-5,7-11H,1-2H3;3-8,10-11H,2H2,1H3;1-5,7-9H;2-7,9-10H,1H3;2-7,9-10H,1H3;;;;;/q5*-1;;;;;
InChIKeyZMNUZYJAPWYIMC-UHFFFAOYSA-N
XLogP18.56
TPSA122.76 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds4
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002219.59
LogP ≤ 518.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-id-7-amine;2-ethoxy-12H-imidazo[1,2-f]phenanthridin-12-ide;12H-imidazo[1,2-f]phenanthridin-12-ide-10-carbonitrile;pentakis(iridium);3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-methylsulfanyl-12H-imidazo[1,2-f]phenanthridin-12-ide with MolForge

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Related Compounds

CID 162009296
CID 162009296
carbanide;N,N-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-id-6-amine;platinum(2+);yttrium
CID 58162663
carbanide;iridium;2-methoxy-12H-imidazo[1,2-f]phenanthridin-12-ide;yttrium
CID 58162772
carbanide;2-methoxy-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+);yttrium
CID 58162733
6-fluoro-3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 59358238
bromozinc(1+);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 58163088
5-decyl-2-(2,4-difluorobenzene-6-id-1-yl)pyrimidine;12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 140591531
bis(1,5-bis(2,6-dimethylphenyl)-2-phenylimidazole);2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;2-fluoro-6-methyl-3-pyridin-2-ylbenzene-4-ide-1-carbonitrile;12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);4-methanidylpent-3-en-2-one;3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-phenyl-1,5-bis(2,4,6-trimethylphenyl)imidazole
CID 160744352
7,10-ditert-butyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-diphenylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-diphenylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium)
CID 160958358
5,7-bis(methylsulfanyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;N,N-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-id-5-amine;N,N-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-id-6-amine;hexakis(iridium);5-methylsulfanyl-12H-imidazo[1,2-f]phenanthridin-12-ide;5-pyridin-4-yl-12H-imidazo[1,2-f]phenanthridin-12-ide;5-pyrimidin-5-yl-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 160747608
7,10-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);7-methyl-5-(4-methylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 158846855
2-benzo[d][1,3,2]benzodioxaphosphepin-6-ium-6-yloxy-12H-imidazo[1,2-f]phenanthridin-12-ide;osmium(1+)
CID 140807980

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-id-7-amine;2-ethoxy-12H-imidazo[1,2-f]phenanthridin-12-ide;12H-imidazo[1,2-f]phenanthridin-12-ide-10-carbonitrile;pentakis(iridium);3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-methylsulfanyl-12H-imidazo[1,2-f]phenanthridin-12-ide?
The IUPAC name of N,N-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-id-7-amine;2-ethoxy-12H-imidazo[1,2-f]phenanthridin-12-ide;12H-imidazo[1,2-f]phenanthridin-12-ide-10-carbonitrile;pentakis(iridium);3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-methylsulfanyl-12H-imidazo[1,2-f]phenanthridin-12-ide (CID 159110677) is N,N-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-id-7-amine;2-ethoxy-12H-imidazo[1,2-f]phenanthridin-12-ide;12H-imidazo[1,2-f]phenanthridin-12-ide-10-carbonitrile;pentakis(iridium);3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-methylsulfanyl-12H-imidazo[1,2-f]phenanthridin-12-ide.
What is the SMILES notation for N,N-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-id-7-amine;2-ethoxy-12H-imidazo[1,2-f]phenanthridin-12-ide;12H-imidazo[1,2-f]phenanthridin-12-ide-10-carbonitrile;pentakis(iridium);3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-methylsulfanyl-12H-imidazo[1,2-f]phenanthridin-12-ide?
The canonical SMILES for N,N-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-id-7-amine;2-ethoxy-12H-imidazo[1,2-f]phenanthridin-12-ide;12H-imidazo[1,2-f]phenanthridin-12-ide-10-carbonitrile;pentakis(iridium);3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-methylsulfanyl-12H-imidazo[1,2-f]phenanthridin-12-ide is CCOc1cn2c3ccccc3c3ccc[c-]c3c2n1.CN(C)c1ccc2c(c1)c1ccc[c-]c1c1nccn21.CSc1cn2c3ccccc3c3ccc[c-]c3c2n1.Cc1cnc2c3[c-]cccc3c3ccccc3n12.N#Cc1c[c-]c2c(c1)c1ccccc1n1ccnc21.[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of N,N-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-id-7-amine;2-ethoxy-12H-imidazo[1,2-f]phenanthridin-12-ide;12H-imidazo[1,2-f]phenanthridin-12-ide-10-carbonitrile;pentakis(iridium);3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-methylsulfanyl-12H-imidazo[1,2-f]phenanthridin-12-ide?
The InChIKey is ZMNUZYJAPWYIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N3.C17H13N2O.C16H8N3.C16H11N2S.C16H11N2.5Ir/c1-19(2)12-7-8-16-15(11-12)13-5-3-4-6-14(13)17-18-9-10-20(16)17;1-2-20-16-11-19-15-10-6-5-8-13(15)12-7-3-4-9-14(12)17(19)18-16;17-10-11-5-6-13-14(9-11)12-3-1-2-4-15(12)19-8-7-18-16(13)19;1-19-15-10-18-14-9-5-4-7-12(14)11-6-2-3-8-13(11)16(18)17-15;1-11-10-17-16-14-8-3-2-6-12(14)13-7-4-5-9-15(13)18(11)16;;;;;/h3-5,7-11H,1-2H3;3-8,10-11H,2H2,1H3;1-5,7-9H;2-7,9-10H,1H3;2-7,9-10H,1H3;;;;;/q5*-1;;;;;.
What are the key properties of N,N-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-id-7-amine;2-ethoxy-12H-imidazo[1,2-f]phenanthridin-12-ide;12H-imidazo[1,2-f]phenanthridin-12-ide-10-carbonitrile;pentakis(iridium);3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-methylsulfanyl-12H-imidazo[1,2-f]phenanthridin-12-ide?
N,N-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-id-7-amine;2-ethoxy-12H-imidazo[1,2-f]phenanthridin-12-ide;12H-imidazo[1,2-f]phenanthridin-12-ide-10-carbonitrile;pentakis(iridium);3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-methylsulfanyl-12H-imidazo[1,2-f]phenanthridin-12-ide has a molecular weight of 2219.59 g/mol, XLogP of 18.56, 4 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-id-7-amine;2-ethoxy-12H-imidazo[1,2-f]phenanthridin-12-ide;12H-imidazo[1,2-f]phenanthridin-12-ide-10-carbonitrile;pentakis(iridium);3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-methylsulfanyl-12H-imidazo[1,2-f]phenanthridin-12-ide is sourced from PubChem (CID 159110677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).