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

C106H75Ir6N17S3-6 — CID 160747608

IUPAC5,7-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
SMILESCN(C)c1ccc2c3ccc[c-]c3c3nccn3c2c1.CN(C)c1cccc2c3ccc[c-]c3c3nccn3c12.CSc1cc(SC)c2c(c1)c1ccc[c-]c1c1nccn12.CSc1cccc2c3ccc[c-]c3c3nccn3c12.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cccc2c1c1nccn1c1c(-c3ccncc3)cccc21.[c-]1cccc2c1c1nccn1c1c(-c3cncnc3)cccc21
InChIInChI=1S/C20H12N3.C19H11N4.2C17H14N3.C17H13N2S2.C16H11N2S.6Ir/c1-2-5-18-16(4-1)17-7-3-6-15(14-8-10-21-11-9-14)19(17)23-13-12-22-20(18)23;1-2-5-17-15(4-1)16-7-3-6-14(13-10-20-12-21-11-13)18(16)23-9-8-22-19(17)23;1-19(2)15-9-5-8-13-12-6-3-4-7-14(12)17-18-10-11-20(17)16(13)15;1-19(2)12-7-8-14-13-5-3-4-6-15(13)17-18-9-10-20(17)16(14)11-12;1-20-11-9-14-12-5-3-4-6-13(12)17-18-7-8-19(17)16(14)15(10-11)21-2;1-19-14-8-4-7-12-11-5-2-3-6-13(11)16-17-9-10-18(16)15(12)14;;;;;;/h1-4,6-13H;1-4,6-12H;3-6,8-11H,1-2H3;3-5,7-11H,1-2H3;3-5,7-10H,1-2H3;2-5,7-10H,1H3;;;;;;/q6*-1;;;;;;
InChIKeyUALSNIATHDQBJD-UHFFFAOYSA-N
MW2836.39 g/mol
LogP24.45
Rot. Bonds7

About 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

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 (PubChem CID 160747608) has the molecular formula C106H75Ir6N17S3-6 and a molecular weight of 2836.39 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5,7-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
PubChem CID160747608
Molecular FormulaC106H75Ir6N17S3-6
Molecular Weight2836.39 g/mol
Exact Mass2839.34
IUPAC Name5,7-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
SMILESCN(C)c1ccc2c3ccc[c-]c3c3nccn3c2c1.CN(C)c1cccc2c3ccc[c-]c3c3nccn3c12.CSc1cc(SC)c2c(c1)c1ccc[c-]c1c1nccn12.CSc1cccc2c3ccc[c-]c3c3nccn3c12.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cccc2c1c1nccn1c1c(-c3ccncc3)cccc21.[c-]1cccc2c1c1nccn1c1c(-c3cncnc3)cccc21
InChIInChI=1S/C20H12N3.C19H11N4.2C17H14N3.C17H13N2S2.C16H11N2S.6Ir/c1-2-5-18-16(4-1)17-7-3-6-15(14-8-10-21-11-9-14)19(17)23-13-12-22-20(18)23;1-2-5-17-15(4-1)16-7-3-6-14(13-10-20-12-21-11-13)18(16)23-9-8-22-19(17)23;1-19(2)15-9-5-8-13-12-6-3-4-7-14(12)17-18-10-11-20(17)16(13)15;1-19(2)12-7-8-14-13-5-3-4-6-15(13)17-18-9-10-20(17)16(14)11-12;1-20-11-9-14-12-5-3-4-6-13(12)17-18-7-8-19(17)16(14)15(10-11)21-2;1-19-14-8-4-7-12-11-5-2-3-6-13(11)16-17-9-10-18(16)15(12)14;;;;;;/h1-4,6-13H;1-4,6-12H;3-6,8-11H,1-2H3;3-5,7-11H,1-2H3;3-5,7-10H,1-2H3;2-5,7-10H,1H3;;;;;;/q6*-1;;;;;;
InChIKeyUALSNIATHDQBJD-UHFFFAOYSA-N
XLogP24.45
TPSA148.95 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds7
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002836.39
LogP ≤ 524.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

5,7-bis(methylsulfanyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iodozinc(1+)
CID 58163198
carbanide;N,N-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-id-6-amine;platinum(2+);yttrium
CID 58162663
5-pyrimidin-5-ylimidazo[1,2-f]phenanthridine
CID 58163128
magnesium;5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iodide
CID 58162949
bromozinc(1+);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 58163088
iridium;7-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide;praseodymium
CID 59858700
CID 158903542
CID 158903542
9-(5-phenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,16-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 154610868
CID 159869777
CID 159869777
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
carbanide;iridium;7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;yttrium
CID 58162854
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C)c1ccc2c3ccc[c-]c3c3nccn3c2c1.CN(C)c1cccc2c3ccc[c-]c3c3nccn3c12.CSc1cc(SC)c2c(c1)c1ccc[c-]c1c1nccn12.CSc1cccc2c3ccc[c-]c3c3nccn3c12.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cccc2c1c1nccn1c1c(-c3ccncc3)cccc21.[c-]1cccc2c1c1nccn1c1c(-c3cncnc3)cccc21.
What is the InChIKey of 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?
The InChIKey is UALSNIATHDQBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N3.C19H11N4.2C17H14N3.C17H13N2S2.C16H11N2S.6Ir/c1-2-5-18-16(4-1)17-7-3-6-15(14-8-10-21-11-9-14)19(17)23-13-12-22-20(18)23;1-2-5-17-15(4-1)16-7-3-6-14(13-10-20-12-21-11-13)18(16)23-9-8-22-19(17)23;1-19(2)15-9-5-8-13-12-6-3-4-7-14(12)17-18-10-11-20(17)16(13)15;1-19(2)12-7-8-14-13-5-3-4-6-15(13)17-18-9-10-20(17)16(14)11-12;1-20-11-9-14-12-5-3-4-6-13(12)17-18-7-8-19(17)16(14)15(10-11)21-2;1-19-14-8-4-7-12-11-5-2-3-6-13(11)16-17-9-10-18(16)15(12)14;;;;;;/h1-4,6-13H;1-4,6-12H;3-6,8-11H,1-2H3;3-5,7-11H,1-2H3;3-5,7-10H,1-2H3;2-5,7-10H,1H3;;;;;;/q6*-1;;;;;;.
What are the key properties of 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?
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 has a molecular weight of 2836.39 g/mol, XLogP of 24.45, 7 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160747608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).