1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)imidazole-4-carbonitrile;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]-2-phenylimidazole-4-carbonitrile;2-(2-fluorobenzene-6-id-1-yl)-1-[4-methoxy-2,6-di(propan-2-yl)phenyl]imidazole-4-carbonitrile;2-(2-fluoro-4-methylbenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole-4-carbonitrile;platinum

C118H114F7N14OPt5-5 — CID 159443070

IUPAC1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)imidazole-4-carbonitrile;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]-2-phenylimidazole-4-carbonitrile;2-(2-fluorobenzene-6-id-1-yl)-1-[4-methoxy-2,6-di(propan-2-yl)phenyl]imidazole-4-carbonitrile;2-(2-fluoro-4-methylbenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole-4-carbonitrile;platinum
SMILESCC(C)c1cccc(C(C)C)c1-n1cc(C#N)nc1-c1[c-]cccc1.CC(C)c1cccc(C(C)C)c1-n1cc(C#N)nc1-c1[c-]cccc1F.CC(C)c1cccc(C(C)C)c1-n1cc(C(F)(F)F)nc1-c1[c-]cccc1F.COc1cc(C(C)C)c(-n2cc(C#N)nc2-c2[c-]cccc2F)c(C(C)C)c1.Cc1c[c-]c(-c2nc(C#N)cn2-c2c(C(C)C)cc(-c3ccccc3)cc2C(C)C)c(F)c1.[Pt].[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/C29H27FN3.C23H23FN3O.C22H21F4N2.C22H21FN3.C22H22N3.5Pt/c1-18(2)25-14-22(21-9-7-6-8-10-21)15-26(19(3)4)28(25)33-17-23(16-31)32-29(33)24-12-11-20(5)13-27(24)30;1-14(2)19-10-17(28-5)11-20(15(3)4)22(19)27-13-16(12-25)26-23(27)18-8-6-7-9-21(18)24;1-13(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;1-14(2)17-9-7-10-18(15(3)4)21(17)26-13-16(12-24)25-22(26)19-8-5-6-11-20(19)23;1-15(2)19-11-8-12-20(16(3)4)21(19)25-14-18(13-23)24-22(25)17-9-6-5-7-10-17;;;;;/h6-11,13-15,17-19H,1-5H3;6-7,9-11,13-15H,1-5H3;5-7,9-14H,1-4H3;5-7,9-11,13-15H,1-4H3;5-9,11-12,14-16H,1-4H3;;;;;/q5*-1;;;;;
InChIKeyZIHIDKYYBCITKW-UHFFFAOYSA-N
MW2852.68 g/mol
LogP30.96
Rot. Bonds22

About 1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)imidazole-4-carbonitrile;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]-2-phenylimidazole-4-carbonitrile;2-(2-fluorobenzene-6-id-1-yl)-1-[4-methoxy-2,6-di(propan-2-yl)phenyl]imidazole-4-carbonitrile;2-(2-fluoro-4-methylbenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole-4-carbonitrile;platinum

1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)imidazole-4-carbonitrile;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]-2-phenylimidazole-4-carbonitrile;2-(2-fluorobenzene-6-id-1-yl)-1-[4-methoxy-2,6-di(propan-2-yl)phenyl]imidazole-4-carbonitrile;2-(2-fluoro-4-methylbenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole-4-carbonitrile;platinum (PubChem CID 159443070) has the molecular formula C118H114F7N14OPt5-5 and a molecular weight of 2852.68 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)imidazole-4-carbonitrile;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]-2-phenylimidazole-4-carbonitrile;2-(2-fluorobenzene-6-id-1-yl)-1-[4-methoxy-2,6-di(propan-2-yl)phenyl]imidazole-4-carbonitrile;2-(2-fluoro-4-methylbenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole-4-carbonitrile;platinum.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)imidazole-4-carbonitrile;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]-2-phenylimidazole-4-carbonitrile;2-(2-fluorobenzene-6-id-1-yl)-1-[4-methoxy-2,6-di(propan-2-yl)phenyl]imidazole-4-carbonitrile;2-(2-fluoro-4-methylbenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole-4-carbonitrile;platinum
PubChem CID159443070
Molecular FormulaC118H114F7N14OPt5-5
Molecular Weight2852.68 g/mol
Exact Mass2850.75
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)imidazole-4-carbonitrile;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]-2-phenylimidazole-4-carbonitrile;2-(2-fluorobenzene-6-id-1-yl)-1-[4-methoxy-2,6-di(propan-2-yl)phenyl]imidazole-4-carbonitrile;2-(2-fluoro-4-methylbenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole-4-carbonitrile;platinum
SMILESCC(C)c1cccc(C(C)C)c1-n1cc(C#N)nc1-c1[c-]cccc1.CC(C)c1cccc(C(C)C)c1-n1cc(C#N)nc1-c1[c-]cccc1F.CC(C)c1cccc(C(C)C)c1-n1cc(C(F)(F)F)nc1-c1[c-]cccc1F.COc1cc(C(C)C)c(-n2cc(C#N)nc2-c2[c-]cccc2F)c(C(C)C)c1.Cc1c[c-]c(-c2nc(C#N)cn2-c2c(C(C)C)cc(-c3ccccc3)cc2C(C)C)c(F)c1.[Pt].[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/C29H27FN3.C23H23FN3O.C22H21F4N2.C22H21FN3.C22H22N3.5Pt/c1-18(2)25-14-22(21-9-7-6-8-10-21)15-26(19(3)4)28(25)33-17-23(16-31)32-29(33)24-12-11-20(5)13-27(24)30;1-14(2)19-10-17(28-5)11-20(15(3)4)22(19)27-13-16(12-25)26-23(27)18-8-6-7-9-21(18)24;1-13(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;1-14(2)17-9-7-10-18(15(3)4)21(17)26-13-16(12-24)25-22(26)19-8-5-6-11-20(19)23;1-15(2)19-11-8-12-20(16(3)4)21(19)25-14-18(13-23)24-22(25)17-9-6-5-7-10-17;;;;;/h6-11,13-15,17-19H,1-5H3;6-7,9-11,13-15H,1-5H3;5-7,9-14H,1-4H3;5-7,9-11,13-15H,1-4H3;5-9,11-12,14-16H,1-4H3;;;;;/q5*-1;;;;;
InChIKeyZIHIDKYYBCITKW-UHFFFAOYSA-N
XLogP30.96
TPSA193.49 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds22
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002852.68
LogP ≤ 530.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)imidazole-4-carbonitrile;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]-2-phenylimidazole-4-carbonitrile;2-(2-fluorobenzene-6-id-1-yl)-1-[4-methoxy-2,6-di(propan-2-yl)phenyl]imidazole-4-carbonitrile;2-(2-fluoro-4-methylbenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole-4-carbonitrile;platinum 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)imidazole-4-carbonitrile;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]-2-phenylimidazole-4-carbonitrile;2-(2-fluorobenzene-6-id-1-yl)-1-[4-methoxy-2,6-di(propan-2-yl)phenyl]imidazole-4-carbonitrile;2-(2-fluoro-4-methylbenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole-4-carbonitrile;platinum?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)imidazole-4-carbonitrile;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]-2-phenylimidazole-4-carbonitrile;2-(2-fluorobenzene-6-id-1-yl)-1-[4-methoxy-2,6-di(propan-2-yl)phenyl]imidazole-4-carbonitrile;2-(2-fluoro-4-methylbenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole-4-carbonitrile;platinum (CID 159443070) is 1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)imidazole-4-carbonitrile;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]-2-phenylimidazole-4-carbonitrile;2-(2-fluorobenzene-6-id-1-yl)-1-[4-methoxy-2,6-di(propan-2-yl)phenyl]imidazole-4-carbonitrile;2-(2-fluoro-4-methylbenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole-4-carbonitrile;platinum.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)imidazole-4-carbonitrile;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]-2-phenylimidazole-4-carbonitrile;2-(2-fluorobenzene-6-id-1-yl)-1-[4-methoxy-2,6-di(propan-2-yl)phenyl]imidazole-4-carbonitrile;2-(2-fluoro-4-methylbenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole-4-carbonitrile;platinum?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)imidazole-4-carbonitrile;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]-2-phenylimidazole-4-carbonitrile;2-(2-fluorobenzene-6-id-1-yl)-1-[4-methoxy-2,6-di(propan-2-yl)phenyl]imidazole-4-carbonitrile;2-(2-fluoro-4-methylbenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole-4-carbonitrile;platinum is CC(C)c1cccc(C(C)C)c1-n1cc(C#N)nc1-c1[c-]cccc1.CC(C)c1cccc(C(C)C)c1-n1cc(C#N)nc1-c1[c-]cccc1F.CC(C)c1cccc(C(C)C)c1-n1cc(C(F)(F)F)nc1-c1[c-]cccc1F.COc1cc(C(C)C)c(-n2cc(C#N)nc2-c2[c-]cccc2F)c(C(C)C)c1.Cc1c[c-]c(-c2nc(C#N)cn2-c2c(C(C)C)cc(-c3ccccc3)cc2C(C)C)c(F)c1.[Pt].[Pt].[Pt].[Pt].[Pt].
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)imidazole-4-carbonitrile;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]-2-phenylimidazole-4-carbonitrile;2-(2-fluorobenzene-6-id-1-yl)-1-[4-methoxy-2,6-di(propan-2-yl)phenyl]imidazole-4-carbonitrile;2-(2-fluoro-4-methylbenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole-4-carbonitrile;platinum?
The InChIKey is ZIHIDKYYBCITKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FN3.C23H23FN3O.C22H21F4N2.C22H21FN3.C22H22N3.5Pt/c1-18(2)25-14-22(21-9-7-6-8-10-21)15-26(19(3)4)28(25)33-17-23(16-31)32-29(33)24-12-11-20(5)13-27(24)30;1-14(2)19-10-17(28-5)11-20(15(3)4)22(19)27-13-16(12-25)26-23(27)18-8-6-7-9-21(18)24;1-13(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;1-14(2)17-9-7-10-18(15(3)4)21(17)26-13-16(12-24)25-22(26)19-8-5-6-11-20(19)23;1-15(2)19-11-8-12-20(16(3)4)21(19)25-14-18(13-23)24-22(25)17-9-6-5-7-10-17;;;;;/h6-11,13-15,17-19H,1-5H3;6-7,9-11,13-15H,1-5H3;5-7,9-14H,1-4H3;5-7,9-11,13-15H,1-4H3;5-9,11-12,14-16H,1-4H3;;;;;/q5*-1;;;;;.
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)imidazole-4-carbonitrile;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]-2-phenylimidazole-4-carbonitrile;2-(2-fluorobenzene-6-id-1-yl)-1-[4-methoxy-2,6-di(propan-2-yl)phenyl]imidazole-4-carbonitrile;2-(2-fluoro-4-methylbenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole-4-carbonitrile;platinum?
1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)imidazole-4-carbonitrile;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]-2-phenylimidazole-4-carbonitrile;2-(2-fluorobenzene-6-id-1-yl)-1-[4-methoxy-2,6-di(propan-2-yl)phenyl]imidazole-4-carbonitrile;2-(2-fluoro-4-methylbenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole-4-carbonitrile;platinum has a molecular weight of 2852.68 g/mol, XLogP of 30.96, 22 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)imidazole-4-carbonitrile;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]-2-phenylimidazole-4-carbonitrile;2-(2-fluorobenzene-6-id-1-yl)-1-[4-methoxy-2,6-di(propan-2-yl)phenyl]imidazole-4-carbonitrile;2-(2-fluoro-4-methylbenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole-4-carbonitrile;platinum is sourced from PubChem (CID 159443070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).