1-(3-chlorothiophen-2-yl)-2-[3-(2,6-dimethylphenyl)benzene-6-id-1-yl]imidazole;1-O-[2-[3,5-dimethyl-4-[2-(4H-pyrimidin-4-id-5-yl)imidazol-1-yl]phenoxy]ethyl] 5-O-methyl 2-(3-cyanobutyl)-2,4,4-trimethylpentanedioate;pentakis(iridium);3-[1-(5-methoxy-1,2-dimethylindol-3-yl)imidazol-2-yl]-4H-1,2-oxazol-4-ide;5-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3-methyl-4H-imidazol-4-ide;1-(2-methyloxan-3-yl)-2-(1-methyl-2H-pyrrol-2-id-3-yl)imidazole

C99H104ClIr5N18O9S-5 — CID 160566733

About 1-(3-chlorothiophen-2-yl)-2-[3-(2,6-dimethylphenyl)benzene-6-id-1-yl]imidazole;1-O-[2-[3,5-dimethyl-4-[2-(4H-pyrimidin-4-id-5-yl)imidazol-1-yl]phenoxy]ethyl] 5-O-methyl 2-(3-cyanobutyl)-2,4,4-trimethylpentanedioate;pentakis(iridium);3-[1-(5-methoxy-1,2-dimethylindol-3-yl)imidazol-2-yl]-4H-1,2-oxazol-4-ide;5-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3-methyl-4H-imidazol-4-ide;1-(2-methyloxan-3-yl)-2-(1-methyl-2H-pyrrol-2-id-3-yl)imidazole

1-(3-chlorothiophen-2-yl)-2-[3-(2,6-dimethylphenyl)benzene-6-id-1-yl]imidazole;1-O-[2-[3,5-dimethyl-4-[2-(4H-pyrimidin-4-id-5-yl)imidazol-1-yl]phenoxy]ethyl] 5-O-methyl 2-(3-cyanobutyl)-2,4,4-trimethylpentanedioate;pentakis(iridium);3-[1-(5-methoxy-1,2-dimethylindol-3-yl)imidazol-2-yl]-4H-1,2-oxazol-4-ide;5-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3-methyl-4H-imidazol-4-ide;1-(2-methyloxan-3-yl)-2-(1-methyl-2H-pyrrol-2-id-3-yl)imidazole (PubChem CID 160566733) has the molecular formula C99H104ClIr5N18O9S-5 and a molecular weight of 2718.64 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-2-[3-(2,6-dimethylphenyl)benzene-6-id-1-yl]imidazole;1-O-[2-[3,5-dimethyl-4-[2-(4H-pyrimidin-4-id-5-yl)imidazol-1-yl]phenoxy]ethyl] 5-O-methyl 2-(3-cyanobutyl)-2,4,4-trimethylpentanedioate;pentakis(iridium);3-[1-(5-methoxy-1,2-dimethylindol-3-yl)imidazol-2-yl]-4H-1,2-oxazol-4-ide;5-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3-methyl-4H-imidazol-4-ide;1-(2-methyloxan-3-yl)-2-(1-methyl-2H-pyrrol-2-id-3-yl)imidazole.

Molecular Properties

• Compound Name: 1-(3-chlorothiophen-2-yl)-2-[3-(2,6-dimethylphenyl)benzene-6-id-1-yl]imidazole;1-O-[2-[3,5-dimethyl-4-[2-(4H-pyrimidin-4-id-5-yl)imidazol-1-yl]phenoxy]ethyl] 5-O-methyl 2-(3-cyanobutyl)-2,4,4-trimethylpentanedioate;pentakis(iridium);3-[1-(5-methoxy-1,2-dimethylindol-3-yl)imidazol-2-yl]-4H-1,2-oxazol-4-ide;5-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3-methyl-4H-imidazol-4-ide;1-(2-methyloxan-3-yl)-2-(1-methyl-2H-pyrrol-2-id-3-yl)imidazole
• PubChem CID: 160566733
• Molecular Formula: C99H104ClIr5N18O9S-5
• Molecular Weight: 2718.64 g/mol
• Exact Mass: 2720.58
• IUPAC Name: 1-(3-chlorothiophen-2-yl)-2-[3-(2,6-dimethylphenyl)benzene-6-id-1-yl]imidazole;1-O-[2-[3,5-dimethyl-4-[2-(4H-pyrimidin-4-id-5-yl)imidazol-1-yl]phenoxy]ethyl] 5-O-methyl 2-(3-cyanobutyl)-2,4,4-trimethylpentanedioate;pentakis(iridium);3-[1-(5-methoxy-1,2-dimethylindol-3-yl)imidazol-2-yl]-4H-1,2-oxazol-4-ide;5-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3-methyl-4H-imidazol-4-ide;1-(2-methyloxan-3-yl)-2-(1-methyl-2H-pyrrol-2-id-3-yl)imidazole
• SMILES: CC1OCCCC1n1ccnc1-c1[c-]n(C)cc1.COC(=O)C(C)(C)CC(C)(CCC(C)C#N)C(=O)OCCOc1cc(C)c(-n2ccnc2-c2[c-]ncnc2)c(C)c1.COc1cc(C)c(-n2ccnc2-c2[c-]n(C)cn2)c(C)c1.COc1ccc2c(c1)c(-n1ccnc1-c1[c-]con1)c(C)n2C.Cc1cccc(C)c1-c1cc[c-]c(-c2nccn2-c2sccc2Cl)c1.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C31H38N5O5.C21H16ClN2S.C17H15N4O2.C16H17N4O.C14H18N3O.5Ir/c1-21(16-32)8-9-31(6,19-30(4,5)28(37)39-7)29(38)41-13-12-40-25-14-22(2)26(23(3)15-25)36-11-10-35-27(36)24-17-33-20-34-18-24;1-14-5-3-6-15(2)19(14)16-7-4-8-17(13-16)20-23-10-11-24(20)21-18(22)9-12-25-21;1-11-16(13-10-12(22-3)4-5-15(13)20(11)2)21-8-7-18-17(21)14-6-9-23-19-14;1-11-7-13(21-4)8-12(2)15(11)20-6-5-17-16(20)14-9-19(3)10-18-14;1-11-13(4-3-9-18-11)17-8-6-15-14(17)12-5-7-16(2)10-12;;;;;/h10-11,14-15,17,20-21H,8-9,12-13,19H2,1-7H3;3-7,9-13H,1-2H3;4-5,7-10H,1-3H3;5-8,10H,1-4H3;5-8,11,13H,3-4,9H2,1-2H3;;;;;/q5*-1
• InChIKey: LRZJFJUJTSMCPK-UHFFFAOYSA-N
• XLogP: 19.79
• TPSA: 281.90 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 24
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2718.64
LogP ≤ 5	19.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-2-[3-(2,6-dimethylphenyl)benzene-6-id-1-yl]imidazole;1-O-[2-[3,5-dimethyl-4-[2-(4H-pyrimidin-4-id-5-yl)imidazol-1-yl]phenoxy]ethyl] 5-O-methyl 2-(3-cyanobutyl)-2,4,4-trimethylpentanedioate;pentakis(iridium);3-[1-(5-methoxy-1,2-dimethylindol-3-yl)imidazol-2-yl]-4H-1,2-oxazol-4-ide;5-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3-methyl-4H-imidazol-4-ide;1-(2-methyloxan-3-yl)-2-(1-methyl-2H-pyrrol-2-id-3-yl)imidazole?

The IUPAC name of 1-(3-chlorothiophen-2-yl)-2-[3-(2,6-dimethylphenyl)benzene-6-id-1-yl]imidazole;1-O-[2-[3,5-dimethyl-4-[2-(4H-pyrimidin-4-id-5-yl)imidazol-1-yl]phenoxy]ethyl] 5-O-methyl 2-(3-cyanobutyl)-2,4,4-trimethylpentanedioate;pentakis(iridium);3-[1-(5-methoxy-1,2-dimethylindol-3-yl)imidazol-2-yl]-4H-1,2-oxazol-4-ide;5-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3-methyl-4H-imidazol-4-ide;1-(2-methyloxan-3-yl)-2-(1-methyl-2H-pyrrol-2-id-3-yl)imidazole (CID 160566733) is 1-(3-chlorothiophen-2-yl)-2-[3-(2,6-dimethylphenyl)benzene-6-id-1-yl]imidazole;1-O-[2-[3,5-dimethyl-4-[2-(4H-pyrimidin-4-id-5-yl)imidazol-1-yl]phenoxy]ethyl] 5-O-methyl 2-(3-cyanobutyl)-2,4,4-trimethylpentanedioate;pentakis(iridium);3-[1-(5-methoxy-1,2-dimethylindol-3-yl)imidazol-2-yl]-4H-1,2-oxazol-4-ide;5-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3-methyl-4H-imidazol-4-ide;1-(2-methyloxan-3-yl)-2-(1-methyl-2H-pyrrol-2-id-3-yl)imidazole.

What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-2-[3-(2,6-dimethylphenyl)benzene-6-id-1-yl]imidazole;1-O-[2-[3,5-dimethyl-4-[2-(4H-pyrimidin-4-id-5-yl)imidazol-1-yl]phenoxy]ethyl] 5-O-methyl 2-(3-cyanobutyl)-2,4,4-trimethylpentanedioate;pentakis(iridium);3-[1-(5-methoxy-1,2-dimethylindol-3-yl)imidazol-2-yl]-4H-1,2-oxazol-4-ide;5-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3-methyl-4H-imidazol-4-ide;1-(2-methyloxan-3-yl)-2-(1-methyl-2H-pyrrol-2-id-3-yl)imidazole?

The canonical SMILES for 1-(3-chlorothiophen-2-yl)-2-[3-(2,6-dimethylphenyl)benzene-6-id-1-yl]imidazole;1-O-[2-[3,5-dimethyl-4-[2-(4H-pyrimidin-4-id-5-yl)imidazol-1-yl]phenoxy]ethyl] 5-O-methyl 2-(3-cyanobutyl)-2,4,4-trimethylpentanedioate;pentakis(iridium);3-[1-(5-methoxy-1,2-dimethylindol-3-yl)imidazol-2-yl]-4H-1,2-oxazol-4-ide;5-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3-methyl-4H-imidazol-4-ide;1-(2-methyloxan-3-yl)-2-(1-methyl-2H-pyrrol-2-id-3-yl)imidazole is CC1OCCCC1n1ccnc1-c1[c-]n(C)cc1.COC(=O)C(C)(C)CC(C)(CCC(C)C#N)C(=O)OCCOc1cc(C)c(-n2ccnc2-c2[c-]ncnc2)c(C)c1.COc1cc(C)c(-n2ccnc2-c2[c-]n(C)cn2)c(C)c1.COc1ccc2c(c1)c(-n1ccnc1-c1[c-]con1)c(C)n2C.Cc1cccc(C)c1-c1cc[c-]c(-c2nccn2-c2sccc2Cl)c1.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 1-(3-chlorothiophen-2-yl)-2-[3-(2,6-dimethylphenyl)benzene-6-id-1-yl]imidazole;1-O-[2-[3,5-dimethyl-4-[2-(4H-pyrimidin-4-id-5-yl)imidazol-1-yl]phenoxy]ethyl] 5-O-methyl 2-(3-cyanobutyl)-2,4,4-trimethylpentanedioate;pentakis(iridium);3-[1-(5-methoxy-1,2-dimethylindol-3-yl)imidazol-2-yl]-4H-1,2-oxazol-4-ide;5-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3-methyl-4H-imidazol-4-ide;1-(2-methyloxan-3-yl)-2-(1-methyl-2H-pyrrol-2-id-3-yl)imidazole?

The InChIKey is LRZJFJUJTSMCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N5O5.C21H16ClN2S.C17H15N4O2.C16H17N4O.C14H18N3O.5Ir/c1-21(16-32)8-9-31(6,19-30(4,5)28(37)39-7)29(38)41-13-12-40-25-14-22(2)26(23(3)15-25)36-11-10-35-27(36)24-17-33-20-34-18-24;1-14-5-3-6-15(2)19(14)16-7-4-8-17(13-16)20-23-10-11-24(20)21-18(22)9-12-25-21;1-11-16(13-10-12(22-3)4-5-15(13)20(11)2)21-8-7-18-17(21)14-6-9-23-19-14;1-11-7-13(21-4)8-12(2)15(11)20-6-5-17-16(20)14-9-19(3)10-18-14;1-11-13(4-3-9-18-11)17-8-6-15-14(17)12-5-7-16(2)10-12;;;;;/h10-11,14-15,17,20-21H,8-9,12-13,19H2,1-7H3;3-7,9-13H,1-2H3;4-5,7-10H,1-3H3;5-8,10H,1-4H3;5-8,11,13H,3-4,9H2,1-2H3;;;;;/q5*-1;;;;;.

What are the key properties of 1-(3-chlorothiophen-2-yl)-2-[3-(2,6-dimethylphenyl)benzene-6-id-1-yl]imidazole;1-O-[2-[3,5-dimethyl-4-[2-(4H-pyrimidin-4-id-5-yl)imidazol-1-yl]phenoxy]ethyl] 5-O-methyl 2-(3-cyanobutyl)-2,4,4-trimethylpentanedioate;pentakis(iridium);3-[1-(5-methoxy-1,2-dimethylindol-3-yl)imidazol-2-yl]-4H-1,2-oxazol-4-ide;5-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3-methyl-4H-imidazol-4-ide;1-(2-methyloxan-3-yl)-2-(1-methyl-2H-pyrrol-2-id-3-yl)imidazole?

1-(3-chlorothiophen-2-yl)-2-[3-(2,6-dimethylphenyl)benzene-6-id-1-yl]imidazole;1-O-[2-[3,5-dimethyl-4-[2-(4H-pyrimidin-4-id-5-yl)imidazol-1-yl]phenoxy]ethyl] 5-O-methyl 2-(3-cyanobutyl)-2,4,4-trimethylpentanedioate;pentakis(iridium);3-[1-(5-methoxy-1,2-dimethylindol-3-yl)imidazol-2-yl]-4H-1,2-oxazol-4-ide;5-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3-methyl-4H-imidazol-4-ide;1-(2-methyloxan-3-yl)-2-(1-methyl-2H-pyrrol-2-id-3-yl)imidazole has a molecular weight of 2718.64 g/mol, XLogP of 19.79, 24 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chlorothiophen-2-yl)-2-[3-(2,6-dimethylphenyl)benzene-6-id-1-yl]imidazole;1-O-[2-[3,5-dimethyl-4-[2-(4H-pyrimidin-4-id-5-yl)imidazol-1-yl]phenoxy]ethyl] 5-O-methyl 2-(3-cyanobutyl)-2,4,4-trimethylpentanedioate;pentakis(iridium);3-[1-(5-methoxy-1,2-dimethylindol-3-yl)imidazol-2-yl]-4H-1,2-oxazol-4-ide;5-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3-methyl-4H-imidazol-4-ide;1-(2-methyloxan-3-yl)-2-(1-methyl-2H-pyrrol-2-id-3-yl)imidazole is sourced from PubChem (CID 160566733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).