[5-[3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]propanoyloxy]-2-ethyl-4-methylpentyl] 3-[3-[8-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indol-5-yl]phenyl]propanoate;iridium;2-methylbutyl 3-[2-[9-[6-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzothiophen-2-yl]carbazol-3-yl]phenyl]propanoate;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole

C151H126IrN10O7S-2 — CID 158583869

About [5-[3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]propanoyloxy]-2-ethyl-4-methylpentyl] 3-[3-[8-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indol-5-yl]phenyl]propanoate;iridium;2-methylbutyl 3-[2-[9-[6-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzothiophen-2-yl]carbazol-3-yl]phenyl]propanoate;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole

[5-[3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]propanoyloxy]-2-ethyl-4-methylpentyl] 3-[3-[8-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indol-5-yl]phenyl]propanoate;iridium;2-methylbutyl 3-[2-[9-[6-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzothiophen-2-yl]carbazol-3-yl]phenyl]propanoate;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole (PubChem CID 158583869) has the molecular formula C151H126IrN10O7S-2 and a molecular weight of 2417.02 g/mol. Its IUPAC name is [5-[3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]propanoyloxy]-2-ethyl-4-methylpentyl] 3-[3-[8-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indol-5-yl]phenyl]propanoate;iridium;2-methylbutyl 3-[2-[9-[6-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzothiophen-2-yl]carbazol-3-yl]phenyl]propanoate;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole.

Molecular Properties

• Compound Name: [5-[3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]propanoyloxy]-2-ethyl-4-methylpentyl] 3-[3-[8-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indol-5-yl]phenyl]propanoate;iridium;2-methylbutyl 3-[2-[9-[6-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzothiophen-2-yl]carbazol-3-yl]phenyl]propanoate;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole
• PubChem CID: 158583869
• Molecular Formula: C151H126IrN10O7S-2
• Molecular Weight: 2417.02 g/mol
• Exact Mass: 2415.92
• IUPAC Name: [5-[3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]propanoyloxy]-2-ethyl-4-methylpentyl] 3-[3-[8-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indol-5-yl]phenyl]propanoate;iridium;2-methylbutyl 3-[2-[9-[6-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzothiophen-2-yl]carbazol-3-yl]phenyl]propanoate;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole
• SMILES: CCC(C)COC(=O)CCc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccc2sc3c(-c4cccc(-n5c6ccccc6c6cc(-c7ccccc7)ccc65)c4)cccc3c2c1.CCC(COC(=O)CCc1cccc(-n2c3ccc(-c4ccc5oc6ccc(-n7c8ccccc8c8ncccc87)cc6c5c4)cc3c3ncccc32)c1)CC(C)COC(=O)CCc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.[Ir]
• InChI: InChI=1S/C71H61N6O5.C62H48N2O2S.C18H17N2.Ir/c1-5-48(36-45(2)43-80-66(78)31-23-50-37-46(3)70(47(4)38-50)75-35-34-74-71(75)51-15-7-6-8-16-51)44-81-67(79)30-22-49-14-11-17-54(39-49)76-61-27-24-52(41-59(61)69-63(76)21-13-33-73-69)53-25-28-64-57(40-53)58-42-55(26-29-65(58)82-64)77-60-19-10-9-18-56(60)68-62(77)20-12-32-72-68;1-3-40(2)39-66-61(65)34-29-42-17-7-8-20-48(42)45-28-32-59-54(37-45)51-22-10-12-26-57(51)64(59)47-30-33-60-55(38-47)52-24-14-23-49(62(52)67-60)44-18-13-19-46(35-44)63-56-25-11-9-21-50(56)53-36-43(27-31-58(53)63)41-15-5-4-6-16-41;1-13-11-14(2)17(15(3)12-13)20-10-9-19-18(20)16-7-5-4-6-8-16;/h6-15,17-21,24-29,32-35,37-42,45,48H,5,22-23,30-31,36,43-44H2,1-4H3;4-28,30-33,35-38,40H,3,29,34,39H2,1-2H3;4-7,9-12H,1-3H3;/q-1;;-1
• InChIKey: JHINDHIKMUNDOH-UHFFFAOYSA-N
• XLogP: 37.24
• TPSA: 173.18 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 31
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2417.02
LogP ≤ 5	37.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [5-[3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]propanoyloxy]-2-ethyl-4-methylpentyl] 3-[3-[8-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indol-5-yl]phenyl]propanoate;iridium;2-methylbutyl 3-[2-[9-[6-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzothiophen-2-yl]carbazol-3-yl]phenyl]propanoate;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole?

The IUPAC name of [5-[3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]propanoyloxy]-2-ethyl-4-methylpentyl] 3-[3-[8-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indol-5-yl]phenyl]propanoate;iridium;2-methylbutyl 3-[2-[9-[6-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzothiophen-2-yl]carbazol-3-yl]phenyl]propanoate;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole (CID 158583869) is [5-[3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]propanoyloxy]-2-ethyl-4-methylpentyl] 3-[3-[8-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indol-5-yl]phenyl]propanoate;iridium;2-methylbutyl 3-[2-[9-[6-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzothiophen-2-yl]carbazol-3-yl]phenyl]propanoate;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole.

What is the SMILES notation for [5-[3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]propanoyloxy]-2-ethyl-4-methylpentyl] 3-[3-[8-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indol-5-yl]phenyl]propanoate;iridium;2-methylbutyl 3-[2-[9-[6-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzothiophen-2-yl]carbazol-3-yl]phenyl]propanoate;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole?

The canonical SMILES for [5-[3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]propanoyloxy]-2-ethyl-4-methylpentyl] 3-[3-[8-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indol-5-yl]phenyl]propanoate;iridium;2-methylbutyl 3-[2-[9-[6-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzothiophen-2-yl]carbazol-3-yl]phenyl]propanoate;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole is CCC(C)COC(=O)CCc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccc2sc3c(-c4cccc(-n5c6ccccc6c6cc(-c7ccccc7)ccc65)c4)cccc3c2c1.CCC(COC(=O)CCc1cccc(-n2c3ccc(-c4ccc5oc6ccc(-n7c8ccccc8c8ncccc87)cc6c5c4)cc3c3ncccc32)c1)CC(C)COC(=O)CCc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.[Ir].

What is the InChIKey of [5-[3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]propanoyloxy]-2-ethyl-4-methylpentyl] 3-[3-[8-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indol-5-yl]phenyl]propanoate;iridium;2-methylbutyl 3-[2-[9-[6-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzothiophen-2-yl]carbazol-3-yl]phenyl]propanoate;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole?

The InChIKey is JHINDHIKMUNDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H61N6O5.C62H48N2O2S.C18H17N2.Ir/c1-5-48(36-45(2)43-80-66(78)31-23-50-37-46(3)70(47(4)38-50)75-35-34-74-71(75)51-15-7-6-8-16-51)44-81-67(79)30-22-49-14-11-17-54(39-49)76-61-27-24-52(41-59(61)69-63(76)21-13-33-73-69)53-25-28-64-57(40-53)58-42-55(26-29-65(58)82-64)77-60-19-10-9-18-56(60)68-62(77)20-12-32-72-68;1-3-40(2)39-66-61(65)34-29-42-17-7-8-20-48(42)45-28-32-59-54(37-45)51-22-10-12-26-57(51)64(59)47-30-33-60-55(38-47)52-24-14-23-49(62(52)67-60)44-18-13-19-46(35-44)63-56-25-11-9-21-50(56)53-36-43(27-31-58(53)63)41-15-5-4-6-16-41;1-13-11-14(2)17(15(3)12-13)20-10-9-19-18(20)16-7-5-4-6-8-16;/h6-15,17-21,24-29,32-35,37-42,45,48H,5,22-23,30-31,36,43-44H2,1-4H3;4-28,30-33,35-38,40H,3,29,34,39H2,1-2H3;4-7,9-12H,1-3H3;/q-1;;-1;.

What are the key properties of [5-[3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]propanoyloxy]-2-ethyl-4-methylpentyl] 3-[3-[8-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indol-5-yl]phenyl]propanoate;iridium;2-methylbutyl 3-[2-[9-[6-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzothiophen-2-yl]carbazol-3-yl]phenyl]propanoate;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole?

[5-[3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]propanoyloxy]-2-ethyl-4-methylpentyl] 3-[3-[8-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indol-5-yl]phenyl]propanoate;iridium;2-methylbutyl 3-[2-[9-[6-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzothiophen-2-yl]carbazol-3-yl]phenyl]propanoate;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole has a molecular weight of 2417.02 g/mol, XLogP of 37.24, 31 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]propanoyloxy]-2-ethyl-4-methylpentyl] 3-[3-[8-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indol-5-yl]phenyl]propanoate;iridium;2-methylbutyl 3-[2-[9-[6-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzothiophen-2-yl]carbazol-3-yl]phenyl]propanoate;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole is sourced from PubChem (CID 158583869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).