1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)-4-nitroimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)-4-(trifluoromethyl)imidazole;1-[2,6-di(propan-2-yl)phenyl]-4-fluoro-2-(2-fluorobenzene-6-id-1-yl)imidazole;2-(2-fluorobenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile;pentakis(iridium);1-methyl-2-(9-methyl-2H-carbazol-2-id-3-yl)imidazole-4-carbonitrile

C101H91F8Ir5N14O2-5 — CID 158766433

IUPAC1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)-4-nitroimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)-4-(trifluoromethyl)imidazole;1-[2,6-di(propan-2-yl)phenyl]-4-fluoro-2-(2-fluorobenzene-6-id-1-yl)imidazole;2-(2-fluorobenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile;pentakis(iridium);1-methyl-2-(9-methyl-2H-carbazol-2-id-3-yl)imidazole-4-carbonitrile
SMILESCC(C)c1cccc(C(C)C)c1-n1cc(C(F)(F)F)nc1-c1[c-]cccc1F.CC(C)c1cccc(C(C)C)c1-n1cc(F)nc1-c1[c-]cccc1F.CC(C)c1cccc(C(C)C)c1-n1cc([N+](=O)[O-])nc1-c1[c-]cccc1F.Cc1cc(C)c(-n2cc(C#N)nc2-c2[c-]cccc2F)c(C)c1.Cn1cc(C#N)nc1-c1[c-]cc2c(c1)c1ccccc1n2C.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C22H21F4N2.C21H21F2N2.C21H21FN3O2.C19H15FN3.C18H13N4.5Ir/c1-13(2)15-9-7-10-16(14(3)4)20(15)28-12-19(22(24,25)26)27-21(28)17-8-5-6-11-18(17)23;1-13(2)15-9-7-10-16(14(3)4)20(15)25-12-19(23)24-21(25)17-8-5-6-11-18(17)22;1-13(2)15-9-7-10-16(14(3)4)20(15)24-12-19(25(26)27)23-21(24)17-8-5-6-11-18(17)22;1-12-8-13(2)18(14(3)9-12)23-11-15(10-21)22-19(23)16-6-4-5-7-17(16)20;1-21-11-13(10-19)20-18(21)12-7-8-17-15(9-12)14-5-3-4-6-16(14)22(17)2;;;;;/h5-7,9-14H,1-4H3;5-7,9-14H,1-4H3;5-7,9-14H,1-4H3;4-5,7-9,11H,1-3H3;3-6,8-9,11H,1-2H3;;;;;/q5*-1;;;;;
InChIKeyRSSUXGYYFLJDOP-UHFFFAOYSA-N
MW2646.00 g/mol
LogP25.91
Rot. Bonds16

About 1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)-4-nitroimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)-4-(trifluoromethyl)imidazole;1-[2,6-di(propan-2-yl)phenyl]-4-fluoro-2-(2-fluorobenzene-6-id-1-yl)imidazole;2-(2-fluorobenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile;pentakis(iridium);1-methyl-2-(9-methyl-2H-carbazol-2-id-3-yl)imidazole-4-carbonitrile

1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)-4-nitroimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)-4-(trifluoromethyl)imidazole;1-[2,6-di(propan-2-yl)phenyl]-4-fluoro-2-(2-fluorobenzene-6-id-1-yl)imidazole;2-(2-fluorobenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile;pentakis(iridium);1-methyl-2-(9-methyl-2H-carbazol-2-id-3-yl)imidazole-4-carbonitrile (PubChem CID 158766433) has the molecular formula C101H91F8Ir5N14O2-5 and a molecular weight of 2646.00 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)-4-nitroimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)-4-(trifluoromethyl)imidazole;1-[2,6-di(propan-2-yl)phenyl]-4-fluoro-2-(2-fluorobenzene-6-id-1-yl)imidazole;2-(2-fluorobenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile;pentakis(iridium);1-methyl-2-(9-methyl-2H-carbazol-2-id-3-yl)imidazole-4-carbonitrile.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)-4-nitroimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)-4-(trifluoromethyl)imidazole;1-[2,6-di(propan-2-yl)phenyl]-4-fluoro-2-(2-fluorobenzene-6-id-1-yl)imidazole;2-(2-fluorobenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile;pentakis(iridium);1-methyl-2-(9-methyl-2H-carbazol-2-id-3-yl)imidazole-4-carbonitrile
PubChem CID158766433
Molecular FormulaC101H91F8Ir5N14O2-5
Molecular Weight2646.00 g/mol
Exact Mass2648.55
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)-4-nitroimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)-4-(trifluoromethyl)imidazole;1-[2,6-di(propan-2-yl)phenyl]-4-fluoro-2-(2-fluorobenzene-6-id-1-yl)imidazole;2-(2-fluorobenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile;pentakis(iridium);1-methyl-2-(9-methyl-2H-carbazol-2-id-3-yl)imidazole-4-carbonitrile
SMILESCC(C)c1cccc(C(C)C)c1-n1cc(C(F)(F)F)nc1-c1[c-]cccc1F.CC(C)c1cccc(C(C)C)c1-n1cc(F)nc1-c1[c-]cccc1F.CC(C)c1cccc(C(C)C)c1-n1cc([N+](=O)[O-])nc1-c1[c-]cccc1F.Cc1cc(C)c(-n2cc(C#N)nc2-c2[c-]cccc2F)c(C)c1.Cn1cc(C#N)nc1-c1[c-]cc2c(c1)c1ccccc1n2C.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C22H21F4N2.C21H21F2N2.C21H21FN3O2.C19H15FN3.C18H13N4.5Ir/c1-13(2)15-9-7-10-16(14(3)4)20(15)28-12-19(22(24,25)26)27-21(28)17-8-5-6-11-18(17)23;1-13(2)15-9-7-10-16(14(3)4)20(15)25-12-19(23)24-21(25)17-8-5-6-11-18(17)22;1-13(2)15-9-7-10-16(14(3)4)20(15)24-12-19(25(26)27)23-21(24)17-8-5-6-11-18(17)22;1-12-8-13(2)18(14(3)9-12)23-11-15(10-21)22-19(23)16-6-4-5-7-17(16)20;1-21-11-13(10-19)20-18(21)12-7-8-17-15(9-12)14-5-3-4-6-16(14)22(17)2;;;;;/h5-7,9-14H,1-4H3;5-7,9-14H,1-4H3;5-7,9-14H,1-4H3;4-5,7-9,11H,1-3H3;3-6,8-9,11H,1-2H3;;;;;/q5*-1;;;;;
InChIKeyRSSUXGYYFLJDOP-UHFFFAOYSA-N
XLogP25.91
TPSA184.75 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002646.00
LogP ≤ 525.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)-4-nitroimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)-4-(trifluoromethyl)imidazole;1-[2,6-di(propan-2-yl)phenyl]-4-fluoro-2-(2-fluorobenzene-6-id-1-yl)imidazole;2-(2-fluorobenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile;pentakis(iridium);1-methyl-2-(9-methyl-2H-carbazol-2-id-3-yl)imidazole-4-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)-4-nitroimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)-4-(trifluoromethyl)imidazole;1-[2,6-di(propan-2-yl)phenyl]-4-fluoro-2-(2-fluorobenzene-6-id-1-yl)imidazole;2-(2-fluorobenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile;pentakis(iridium);1-methyl-2-(9-methyl-2H-carbazol-2-id-3-yl)imidazole-4-carbonitrile?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)-4-nitroimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)-4-(trifluoromethyl)imidazole;1-[2,6-di(propan-2-yl)phenyl]-4-fluoro-2-(2-fluorobenzene-6-id-1-yl)imidazole;2-(2-fluorobenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile;pentakis(iridium);1-methyl-2-(9-methyl-2H-carbazol-2-id-3-yl)imidazole-4-carbonitrile (CID 158766433) is 1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)-4-nitroimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)-4-(trifluoromethyl)imidazole;1-[2,6-di(propan-2-yl)phenyl]-4-fluoro-2-(2-fluorobenzene-6-id-1-yl)imidazole;2-(2-fluorobenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile;pentakis(iridium);1-methyl-2-(9-methyl-2H-carbazol-2-id-3-yl)imidazole-4-carbonitrile.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)-4-nitroimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)-4-(trifluoromethyl)imidazole;1-[2,6-di(propan-2-yl)phenyl]-4-fluoro-2-(2-fluorobenzene-6-id-1-yl)imidazole;2-(2-fluorobenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile;pentakis(iridium);1-methyl-2-(9-methyl-2H-carbazol-2-id-3-yl)imidazole-4-carbonitrile?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)-4-nitroimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)-4-(trifluoromethyl)imidazole;1-[2,6-di(propan-2-yl)phenyl]-4-fluoro-2-(2-fluorobenzene-6-id-1-yl)imidazole;2-(2-fluorobenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile;pentakis(iridium);1-methyl-2-(9-methyl-2H-carbazol-2-id-3-yl)imidazole-4-carbonitrile is CC(C)c1cccc(C(C)C)c1-n1cc(C(F)(F)F)nc1-c1[c-]cccc1F.CC(C)c1cccc(C(C)C)c1-n1cc(F)nc1-c1[c-]cccc1F.CC(C)c1cccc(C(C)C)c1-n1cc([N+](=O)[O-])nc1-c1[c-]cccc1F.Cc1cc(C)c(-n2cc(C#N)nc2-c2[c-]cccc2F)c(C)c1.Cn1cc(C#N)nc1-c1[c-]cc2c(c1)c1ccccc1n2C.[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)-4-nitroimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)-4-(trifluoromethyl)imidazole;1-[2,6-di(propan-2-yl)phenyl]-4-fluoro-2-(2-fluorobenzene-6-id-1-yl)imidazole;2-(2-fluorobenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile;pentakis(iridium);1-methyl-2-(9-methyl-2H-carbazol-2-id-3-yl)imidazole-4-carbonitrile?
The InChIKey is RSSUXGYYFLJDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F4N2.C21H21F2N2.C21H21FN3O2.C19H15FN3.C18H13N4.5Ir/c1-13(2)15-9-7-10-16(14(3)4)20(15)28-12-19(22(24,25)26)27-21(28)17-8-5-6-11-18(17)23;1-13(2)15-9-7-10-16(14(3)4)20(15)25-12-19(23)24-21(25)17-8-5-6-11-18(17)22;1-13(2)15-9-7-10-16(14(3)4)20(15)24-12-19(25(26)27)23-21(24)17-8-5-6-11-18(17)22;1-12-8-13(2)18(14(3)9-12)23-11-15(10-21)22-19(23)16-6-4-5-7-17(16)20;1-21-11-13(10-19)20-18(21)12-7-8-17-15(9-12)14-5-3-4-6-16(14)22(17)2;;;;;/h5-7,9-14H,1-4H3;5-7,9-14H,1-4H3;5-7,9-14H,1-4H3;4-5,7-9,11H,1-3H3;3-6,8-9,11H,1-2H3;;;;;/q5*-1;;;;;.
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)-4-nitroimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)-4-(trifluoromethyl)imidazole;1-[2,6-di(propan-2-yl)phenyl]-4-fluoro-2-(2-fluorobenzene-6-id-1-yl)imidazole;2-(2-fluorobenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile;pentakis(iridium);1-methyl-2-(9-methyl-2H-carbazol-2-id-3-yl)imidazole-4-carbonitrile?
1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)-4-nitroimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)-4-(trifluoromethyl)imidazole;1-[2,6-di(propan-2-yl)phenyl]-4-fluoro-2-(2-fluorobenzene-6-id-1-yl)imidazole;2-(2-fluorobenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile;pentakis(iridium);1-methyl-2-(9-methyl-2H-carbazol-2-id-3-yl)imidazole-4-carbonitrile has a molecular weight of 2646.00 g/mol, XLogP of 25.91, 16 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)-4-nitroimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)-4-(trifluoromethyl)imidazole;1-[2,6-di(propan-2-yl)phenyl]-4-fluoro-2-(2-fluorobenzene-6-id-1-yl)imidazole;2-(2-fluorobenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile;pentakis(iridium);1-methyl-2-(9-methyl-2H-carbazol-2-id-3-yl)imidazole-4-carbonitrile is sourced from PubChem (CID 158766433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).