1-[4-(dibenzofuran-4-ylmethyl)-2,6-dimethylphenyl]-2-phenylimidazole;3-(2,6-dimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;3-[4-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-1,2,4-triazol-3-yl]-4H-pyridin-4-ide;pentakis(iridium);9-(2-methylphenyl)-3-(2-methyl-4-propan-2-ylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;6-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide

C130H111Ir5N12O-5 — CID 157289305

IUPAC1-[4-(dibenzofuran-4-ylmethyl)-2,6-dimethylphenyl]-2-phenylimidazole;3-(2,6-dimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;3-[4-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-1,2,4-triazol-3-yl]-4H-pyridin-4-ide;pentakis(iridium);9-(2-methylphenyl)-3-(2-methyl-4-propan-2-ylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;6-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
SMILESCc1cc(C)c(-c2cnc3c4[c-]cccc4c4ccc(C)cc4n23)c(C)c1.Cc1cc(CC(C)(C)C)cc(C)c1-n1cnnc1-c1[c-]ccnc1.Cc1cc(Cc2cccc3c2oc2ccccc23)cc(C)c1-n1ccnc1-c1[c-]cccc1.Cc1cccc(C)c1-c1cnn2c3[c-]cccc3c3ccccc3c12.Cc1ccccc1-c1cc[c-]c2c1c1ccccc1n1c(-c3ccc(C(C)C)cc3C)cnc21.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C32H27N2.C30H23N2O.C25H21N2.C23H17N2.C20H23N4.5Ir/c1-20(2)23-16-17-25(22(4)18-23)30-19-33-32-28-14-9-13-26(24-11-6-5-10-21(24)3)31(28)27-12-7-8-15-29(27)34(30)32;1-20-17-22(19-24-11-8-13-26-25-12-6-7-14-27(25)33-29(24)26)18-21(2)28(20)32-16-15-31-30(32)23-9-4-3-5-10-23;1-15-9-10-20-19-7-5-6-8-21(19)25-26-14-23(27(25)22(20)13-15)24-17(3)11-16(2)12-18(24)4;1-15-8-7-9-16(2)22(15)20-14-24-25-21-13-6-5-11-18(21)17-10-3-4-12-19(17)23(20)25;1-14-9-16(11-20(3,4)5)10-15(2)18(14)24-13-22-23-19(24)17-7-6-8-21-12-17;;;;;/h5-13,15-20H,1-4H3;3-9,11-18H,19H2,1-2H3;5-7,9-14H,1-4H3;3-12,14H,1-2H3;6,8-10,12-13H,11H2,1-5H3;;;;;/q5*-1;;;;;
InChIKeyKKSGGEPFLGZZQG-UHFFFAOYSA-N
MW2818.49 g/mol
LogP32.35
Rot. Bonds12

About 1-[4-(dibenzofuran-4-ylmethyl)-2,6-dimethylphenyl]-2-phenylimidazole;3-(2,6-dimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;3-[4-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-1,2,4-triazol-3-yl]-4H-pyridin-4-ide;pentakis(iridium);9-(2-methylphenyl)-3-(2-methyl-4-propan-2-ylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;6-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide

1-[4-(dibenzofuran-4-ylmethyl)-2,6-dimethylphenyl]-2-phenylimidazole;3-(2,6-dimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;3-[4-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-1,2,4-triazol-3-yl]-4H-pyridin-4-ide;pentakis(iridium);9-(2-methylphenyl)-3-(2-methyl-4-propan-2-ylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;6-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide (PubChem CID 157289305) has the molecular formula C130H111Ir5N12O-5 and a molecular weight of 2818.49 g/mol. Its IUPAC name is 1-[4-(dibenzofuran-4-ylmethyl)-2,6-dimethylphenyl]-2-phenylimidazole;3-(2,6-dimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;3-[4-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-1,2,4-triazol-3-yl]-4H-pyridin-4-ide;pentakis(iridium);9-(2-methylphenyl)-3-(2-methyl-4-propan-2-ylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;6-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide.

Molecular Properties

Compound Name1-[4-(dibenzofuran-4-ylmethyl)-2,6-dimethylphenyl]-2-phenylimidazole;3-(2,6-dimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;3-[4-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-1,2,4-triazol-3-yl]-4H-pyridin-4-ide;pentakis(iridium);9-(2-methylphenyl)-3-(2-methyl-4-propan-2-ylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;6-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
PubChem CID157289305
Molecular FormulaC130H111Ir5N12O-5
Molecular Weight2818.49 g/mol
Exact Mass2820.72
IUPAC Name1-[4-(dibenzofuran-4-ylmethyl)-2,6-dimethylphenyl]-2-phenylimidazole;3-(2,6-dimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;3-[4-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-1,2,4-triazol-3-yl]-4H-pyridin-4-ide;pentakis(iridium);9-(2-methylphenyl)-3-(2-methyl-4-propan-2-ylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;6-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
SMILESCc1cc(C)c(-c2cnc3c4[c-]cccc4c4ccc(C)cc4n23)c(C)c1.Cc1cc(CC(C)(C)C)cc(C)c1-n1cnnc1-c1[c-]ccnc1.Cc1cc(Cc2cccc3c2oc2ccccc23)cc(C)c1-n1ccnc1-c1[c-]cccc1.Cc1cccc(C)c1-c1cnn2c3[c-]cccc3c3ccccc3c12.Cc1ccccc1-c1cc[c-]c2c1c1ccccc1n1c(-c3ccc(C(C)C)cc3C)cnc21.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C32H27N2.C30H23N2O.C25H21N2.C23H17N2.C20H23N4.5Ir/c1-20(2)23-16-17-25(22(4)18-23)30-19-33-32-28-14-9-13-26(24-11-6-5-10-21(24)3)31(28)27-12-7-8-15-29(27)34(30)32;1-20-17-22(19-24-11-8-13-26-25-12-6-7-14-27(25)33-29(24)26)18-21(2)28(20)32-16-15-31-30(32)23-9-4-3-5-10-23;1-15-9-10-20-19-7-5-6-8-21(19)25-26-14-23(27(25)22(20)13-15)24-17(3)11-16(2)12-18(24)4;1-15-8-7-9-16(2)22(15)20-14-24-25-21-13-6-5-11-18(21)17-10-3-4-12-19(17)23(20)25;1-14-9-16(11-20(3,4)5)10-15(2)18(14)24-13-22-23-19(24)17-7-6-8-21-12-17;;;;;/h5-13,15-20H,1-4H3;3-9,11-18H,19H2,1-2H3;5-7,9-14H,1-4H3;3-12,14H,1-2H3;6,8-10,12-13H,11H2,1-5H3;;;;;/q5*-1;;;;;
InChIKeyKKSGGEPFLGZZQG-UHFFFAOYSA-N
XLogP32.35
TPSA126.46 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms148
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002818.49
LogP ≤ 532.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 1-[4-(dibenzofuran-4-ylmethyl)-2,6-dimethylphenyl]-2-phenylimidazole;3-(2,6-dimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;3-[4-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-1,2,4-triazol-3-yl]-4H-pyridin-4-ide;pentakis(iridium);9-(2-methylphenyl)-3-(2-methyl-4-propan-2-ylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;6-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dibenzofuran-4-ylmethyl)-2,6-dimethylphenyl]-2-phenylimidazole;3-(2,6-dimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;3-[4-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-1,2,4-triazol-3-yl]-4H-pyridin-4-ide;pentakis(iridium);9-(2-methylphenyl)-3-(2-methyl-4-propan-2-ylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;6-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide?
The IUPAC name of 1-[4-(dibenzofuran-4-ylmethyl)-2,6-dimethylphenyl]-2-phenylimidazole;3-(2,6-dimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;3-[4-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-1,2,4-triazol-3-yl]-4H-pyridin-4-ide;pentakis(iridium);9-(2-methylphenyl)-3-(2-methyl-4-propan-2-ylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;6-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide (CID 157289305) is 1-[4-(dibenzofuran-4-ylmethyl)-2,6-dimethylphenyl]-2-phenylimidazole;3-(2,6-dimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;3-[4-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-1,2,4-triazol-3-yl]-4H-pyridin-4-ide;pentakis(iridium);9-(2-methylphenyl)-3-(2-methyl-4-propan-2-ylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;6-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide.
What is the SMILES notation for 1-[4-(dibenzofuran-4-ylmethyl)-2,6-dimethylphenyl]-2-phenylimidazole;3-(2,6-dimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;3-[4-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-1,2,4-triazol-3-yl]-4H-pyridin-4-ide;pentakis(iridium);9-(2-methylphenyl)-3-(2-methyl-4-propan-2-ylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;6-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide?
The canonical SMILES for 1-[4-(dibenzofuran-4-ylmethyl)-2,6-dimethylphenyl]-2-phenylimidazole;3-(2,6-dimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;3-[4-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-1,2,4-triazol-3-yl]-4H-pyridin-4-ide;pentakis(iridium);9-(2-methylphenyl)-3-(2-methyl-4-propan-2-ylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;6-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide is Cc1cc(C)c(-c2cnc3c4[c-]cccc4c4ccc(C)cc4n23)c(C)c1.Cc1cc(CC(C)(C)C)cc(C)c1-n1cnnc1-c1[c-]ccnc1.Cc1cc(Cc2cccc3c2oc2ccccc23)cc(C)c1-n1ccnc1-c1[c-]cccc1.Cc1cccc(C)c1-c1cnn2c3[c-]cccc3c3ccccc3c12.Cc1ccccc1-c1cc[c-]c2c1c1ccccc1n1c(-c3ccc(C(C)C)cc3C)cnc21.[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 1-[4-(dibenzofuran-4-ylmethyl)-2,6-dimethylphenyl]-2-phenylimidazole;3-(2,6-dimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;3-[4-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-1,2,4-triazol-3-yl]-4H-pyridin-4-ide;pentakis(iridium);9-(2-methylphenyl)-3-(2-methyl-4-propan-2-ylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;6-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide?
The InChIKey is KKSGGEPFLGZZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N2.C30H23N2O.C25H21N2.C23H17N2.C20H23N4.5Ir/c1-20(2)23-16-17-25(22(4)18-23)30-19-33-32-28-14-9-13-26(24-11-6-5-10-21(24)3)31(28)27-12-7-8-15-29(27)34(30)32;1-20-17-22(19-24-11-8-13-26-25-12-6-7-14-27(25)33-29(24)26)18-21(2)28(20)32-16-15-31-30(32)23-9-4-3-5-10-23;1-15-9-10-20-19-7-5-6-8-21(19)25-26-14-23(27(25)22(20)13-15)24-17(3)11-16(2)12-18(24)4;1-15-8-7-9-16(2)22(15)20-14-24-25-21-13-6-5-11-18(21)17-10-3-4-12-19(17)23(20)25;1-14-9-16(11-20(3,4)5)10-15(2)18(14)24-13-22-23-19(24)17-7-6-8-21-12-17;;;;;/h5-13,15-20H,1-4H3;3-9,11-18H,19H2,1-2H3;5-7,9-14H,1-4H3;3-12,14H,1-2H3;6,8-10,12-13H,11H2,1-5H3;;;;;/q5*-1;;;;;.
What are the key properties of 1-[4-(dibenzofuran-4-ylmethyl)-2,6-dimethylphenyl]-2-phenylimidazole;3-(2,6-dimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;3-[4-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-1,2,4-triazol-3-yl]-4H-pyridin-4-ide;pentakis(iridium);9-(2-methylphenyl)-3-(2-methyl-4-propan-2-ylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;6-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide?
1-[4-(dibenzofuran-4-ylmethyl)-2,6-dimethylphenyl]-2-phenylimidazole;3-(2,6-dimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;3-[4-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-1,2,4-triazol-3-yl]-4H-pyridin-4-ide;pentakis(iridium);9-(2-methylphenyl)-3-(2-methyl-4-propan-2-ylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;6-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide has a molecular weight of 2818.49 g/mol, XLogP of 32.35, 12 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dibenzofuran-4-ylmethyl)-2,6-dimethylphenyl]-2-phenylimidazole;3-(2,6-dimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;3-[4-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-1,2,4-triazol-3-yl]-4H-pyridin-4-ide;pentakis(iridium);9-(2-methylphenyl)-3-(2-methyl-4-propan-2-ylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;6-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide is sourced from PubChem (CID 157289305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).