3-[1-(2,6-dimethyl-4-octylphenyl)imidazol-2-yl]-9-phenyl-2H-carbazol-2-ide;3-[1-[4-(3-ethylhexyl)-2,6-dimethylphenyl]imidazol-2-yl]-9-(2-methylphenyl)-2H-carbazol-2-ide;3-[1-[4-(hexan-3-yloxymethyl)-2,6-dimethylphenyl]imidazol-2-yl]-9-phenyl-2H-carbazol-2-ide;tris(iridium);9-(2-methylphenyl)-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide;bis(9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide)

C202H188Ir3N18O-6 — CID 158475657

About 3-[1-(2,6-dimethyl-4-octylphenyl)imidazol-2-yl]-9-phenyl-2H-carbazol-2-ide;3-[1-[4-(3-ethylhexyl)-2,6-dimethylphenyl]imidazol-2-yl]-9-(2-methylphenyl)-2H-carbazol-2-ide;3-[1-[4-(hexan-3-yloxymethyl)-2,6-dimethylphenyl]imidazol-2-yl]-9-phenyl-2H-carbazol-2-ide;tris(iridium);9-(2-methylphenyl)-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide;bis(9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide)

3-[1-(2,6-dimethyl-4-octylphenyl)imidazol-2-yl]-9-phenyl-2H-carbazol-2-ide;3-[1-[4-(3-ethylhexyl)-2,6-dimethylphenyl]imidazol-2-yl]-9-(2-methylphenyl)-2H-carbazol-2-ide;3-[1-[4-(hexan-3-yloxymethyl)-2,6-dimethylphenyl]imidazol-2-yl]-9-phenyl-2H-carbazol-2-ide;tris(iridium);9-(2-methylphenyl)-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide;bis(9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide) (PubChem CID 158475657) has the molecular formula C202H188Ir3N18O-6 and a molecular weight of 3460.50 g/mol. Its IUPAC name is 3-[1-(2,6-dimethyl-4-octylphenyl)imidazol-2-yl]-9-phenyl-2H-carbazol-2-ide;3-[1-[4-(3-ethylhexyl)-2,6-dimethylphenyl]imidazol-2-yl]-9-(2-methylphenyl)-2H-carbazol-2-ide;3-[1-[4-(hexan-3-yloxymethyl)-2,6-dimethylphenyl]imidazol-2-yl]-9-phenyl-2H-carbazol-2-ide;tris(iridium);9-(2-methylphenyl)-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide;bis(9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide).

Molecular Properties

• Compound Name: 3-[1-(2,6-dimethyl-4-octylphenyl)imidazol-2-yl]-9-phenyl-2H-carbazol-2-ide;3-[1-[4-(3-ethylhexyl)-2,6-dimethylphenyl]imidazol-2-yl]-9-(2-methylphenyl)-2H-carbazol-2-ide;3-[1-[4-(hexan-3-yloxymethyl)-2,6-dimethylphenyl]imidazol-2-yl]-9-phenyl-2H-carbazol-2-ide;tris(iridium);9-(2-methylphenyl)-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide;bis(9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide)
• PubChem CID: 158475657
• Molecular Formula: C202H188Ir3N18O-6
• Molecular Weight: 3460.50 g/mol
• Exact Mass: 3460.41
• IUPAC Name: 3-[1-(2,6-dimethyl-4-octylphenyl)imidazol-2-yl]-9-phenyl-2H-carbazol-2-ide;3-[1-[4-(3-ethylhexyl)-2,6-dimethylphenyl]imidazol-2-yl]-9-(2-methylphenyl)-2H-carbazol-2-ide;3-[1-[4-(hexan-3-yloxymethyl)-2,6-dimethylphenyl]imidazol-2-yl]-9-phenyl-2H-carbazol-2-ide;tris(iridium);9-(2-methylphenyl)-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide;bis(9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide)
• SMILES: CCCC(CC)CCc1cc(C)c(-n2ccnc2-c2[c-]cc3c(c2)c2ccccc2n3-c2ccccc2C)c(C)c1.CCCC(CC)OCc1cc(C)c(-n2ccnc2-c2[c-]cc3c(c2)c2ccccc2n3-c2ccccc2)c(C)c1.CCCCCCCCc1cc(C)c(-n2ccnc2-c2[c-]cc3c(c2)c2ccccc2n3-c2ccccc2)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cc3c(c2)c2ccccc2n3-c2ccccc2)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cc3c(c2)c2ccccc2n3-c2ccccc2)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cc3c(c2)c2ccccc2n3-c2ccccc2C)c(C)c1.[Ir].[Ir].[Ir]
• InChI: InChI=1S/C38H40N3.C37H38N3.C36H36N3O.C31H26N3.2C30H24N3.3Ir/c1-6-12-29(7-2)17-18-30-23-27(4)37(28(5)24-30)40-22-21-39-38(40)31-19-20-36-33(25-31)32-14-9-11-16-35(32)41(36)34-15-10-8-13-26(34)3;1-4-5-6-7-8-10-15-29-24-27(2)36(28(3)25-29)39-23-22-38-37(39)30-20-21-35-33(26-30)32-18-13-14-19-34(32)40(35)31-16-11-9-12-17-31;1-5-12-30(6-2)40-24-27-21-25(3)35(26(4)22-27)38-20-19-37-36(38)28-17-18-34-32(23-28)31-15-10-11-16-33(31)39(34)29-13-8-7-9-14-29;1-20-17-22(3)30(23(4)18-20)33-16-15-32-31(33)24-13-14-29-26(19-24)25-10-6-8-12-28(25)34(29)27-11-7-5-9-21(27)2;2*1-20-17-21(2)29(22(3)18-20)32-16-15-31-30(32)23-13-14-28-26(19-23)25-11-7-8-12-27(25)33(28)24-9-5-4-6-10-24;;;/h8-11,13-16,20-25,29H,6-7,12,17-18H2,1-5H3;9,11-14,16-19,21-26H,4-8,10,15H2,1-3H3;7-11,13-16,18-23,30H,5-6,12,24H2,1-4H3;5-12,14-19H,1-4H3;2*4-12,14-19H,1-3H3;;;/q6*-1
• InChIKey: BMYIGLRENRJAII-UHFFFAOYSA-N
• XLogP: 51.61
• TPSA: 145.73 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 37
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3460.50
LogP ≤ 5	51.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

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 3-[1-(2,6-dimethyl-4-octylphenyl)imidazol-2-yl]-9-phenyl-2H-carbazol-2-ide;3-[1-[4-(3-ethylhexyl)-2,6-dimethylphenyl]imidazol-2-yl]-9-(2-methylphenyl)-2H-carbazol-2-ide;3-[1-[4-(hexan-3-yloxymethyl)-2,6-dimethylphenyl]imidazol-2-yl]-9-phenyl-2H-carbazol-2-ide;tris(iridium);9-(2-methylphenyl)-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide;bis(9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide)?

The IUPAC name of 3-[1-(2,6-dimethyl-4-octylphenyl)imidazol-2-yl]-9-phenyl-2H-carbazol-2-ide;3-[1-[4-(3-ethylhexyl)-2,6-dimethylphenyl]imidazol-2-yl]-9-(2-methylphenyl)-2H-carbazol-2-ide;3-[1-[4-(hexan-3-yloxymethyl)-2,6-dimethylphenyl]imidazol-2-yl]-9-phenyl-2H-carbazol-2-ide;tris(iridium);9-(2-methylphenyl)-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide;bis(9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide) (CID 158475657) is 3-[1-(2,6-dimethyl-4-octylphenyl)imidazol-2-yl]-9-phenyl-2H-carbazol-2-ide;3-[1-[4-(3-ethylhexyl)-2,6-dimethylphenyl]imidazol-2-yl]-9-(2-methylphenyl)-2H-carbazol-2-ide;3-[1-[4-(hexan-3-yloxymethyl)-2,6-dimethylphenyl]imidazol-2-yl]-9-phenyl-2H-carbazol-2-ide;tris(iridium);9-(2-methylphenyl)-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide;bis(9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide).

What is the SMILES notation for 3-[1-(2,6-dimethyl-4-octylphenyl)imidazol-2-yl]-9-phenyl-2H-carbazol-2-ide;3-[1-[4-(3-ethylhexyl)-2,6-dimethylphenyl]imidazol-2-yl]-9-(2-methylphenyl)-2H-carbazol-2-ide;3-[1-[4-(hexan-3-yloxymethyl)-2,6-dimethylphenyl]imidazol-2-yl]-9-phenyl-2H-carbazol-2-ide;tris(iridium);9-(2-methylphenyl)-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide;bis(9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide)?

The canonical SMILES for 3-[1-(2,6-dimethyl-4-octylphenyl)imidazol-2-yl]-9-phenyl-2H-carbazol-2-ide;3-[1-[4-(3-ethylhexyl)-2,6-dimethylphenyl]imidazol-2-yl]-9-(2-methylphenyl)-2H-carbazol-2-ide;3-[1-[4-(hexan-3-yloxymethyl)-2,6-dimethylphenyl]imidazol-2-yl]-9-phenyl-2H-carbazol-2-ide;tris(iridium);9-(2-methylphenyl)-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide;bis(9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide) is CCCC(CC)CCc1cc(C)c(-n2ccnc2-c2[c-]cc3c(c2)c2ccccc2n3-c2ccccc2C)c(C)c1.CCCC(CC)OCc1cc(C)c(-n2ccnc2-c2[c-]cc3c(c2)c2ccccc2n3-c2ccccc2)c(C)c1.CCCCCCCCc1cc(C)c(-n2ccnc2-c2[c-]cc3c(c2)c2ccccc2n3-c2ccccc2)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cc3c(c2)c2ccccc2n3-c2ccccc2)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cc3c(c2)c2ccccc2n3-c2ccccc2)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cc3c(c2)c2ccccc2n3-c2ccccc2C)c(C)c1.[Ir].[Ir].[Ir].

What is the InChIKey of 3-[1-(2,6-dimethyl-4-octylphenyl)imidazol-2-yl]-9-phenyl-2H-carbazol-2-ide;3-[1-[4-(3-ethylhexyl)-2,6-dimethylphenyl]imidazol-2-yl]-9-(2-methylphenyl)-2H-carbazol-2-ide;3-[1-[4-(hexan-3-yloxymethyl)-2,6-dimethylphenyl]imidazol-2-yl]-9-phenyl-2H-carbazol-2-ide;tris(iridium);9-(2-methylphenyl)-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide;bis(9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide)?

The InChIKey is BMYIGLRENRJAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H40N3.C37H38N3.C36H36N3O.C31H26N3.2C30H24N3.3Ir/c1-6-12-29(7-2)17-18-30-23-27(4)37(28(5)24-30)40-22-21-39-38(40)31-19-20-36-33(25-31)32-14-9-11-16-35(32)41(36)34-15-10-8-13-26(34)3;1-4-5-6-7-8-10-15-29-24-27(2)36(28(3)25-29)39-23-22-38-37(39)30-20-21-35-33(26-30)32-18-13-14-19-34(32)40(35)31-16-11-9-12-17-31;1-5-12-30(6-2)40-24-27-21-25(3)35(26(4)22-27)38-20-19-37-36(38)28-17-18-34-32(23-28)31-15-10-11-16-33(31)39(34)29-13-8-7-9-14-29;1-20-17-22(3)30(23(4)18-20)33-16-15-32-31(33)24-13-14-29-26(19-24)25-10-6-8-12-28(25)34(29)27-11-7-5-9-21(27)2;2*1-20-17-21(2)29(22(3)18-20)32-16-15-31-30(32)23-13-14-28-26(19-23)25-11-7-8-12-27(25)33(28)24-9-5-4-6-10-24;;;/h8-11,13-16,20-25,29H,6-7,12,17-18H2,1-5H3;9,11-14,16-19,21-26H,4-8,10,15H2,1-3H3;7-11,13-16,18-23,30H,5-6,12,24H2,1-4H3;5-12,14-19H,1-4H3;2*4-12,14-19H,1-3H3;;;/q6*-1;;;.

What are the key properties of 3-[1-(2,6-dimethyl-4-octylphenyl)imidazol-2-yl]-9-phenyl-2H-carbazol-2-ide;3-[1-[4-(3-ethylhexyl)-2,6-dimethylphenyl]imidazol-2-yl]-9-(2-methylphenyl)-2H-carbazol-2-ide;3-[1-[4-(hexan-3-yloxymethyl)-2,6-dimethylphenyl]imidazol-2-yl]-9-phenyl-2H-carbazol-2-ide;tris(iridium);9-(2-methylphenyl)-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide;bis(9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide)?

3-[1-(2,6-dimethyl-4-octylphenyl)imidazol-2-yl]-9-phenyl-2H-carbazol-2-ide;3-[1-[4-(3-ethylhexyl)-2,6-dimethylphenyl]imidazol-2-yl]-9-(2-methylphenyl)-2H-carbazol-2-ide;3-[1-[4-(hexan-3-yloxymethyl)-2,6-dimethylphenyl]imidazol-2-yl]-9-phenyl-2H-carbazol-2-ide;tris(iridium);9-(2-methylphenyl)-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide;bis(9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide) has a molecular weight of 3460.50 g/mol, XLogP of 51.61, 37 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(2,6-dimethyl-4-octylphenyl)imidazol-2-yl]-9-phenyl-2H-carbazol-2-ide;3-[1-[4-(3-ethylhexyl)-2,6-dimethylphenyl]imidazol-2-yl]-9-(2-methylphenyl)-2H-carbazol-2-ide;3-[1-[4-(hexan-3-yloxymethyl)-2,6-dimethylphenyl]imidazol-2-yl]-9-phenyl-2H-carbazol-2-ide;tris(iridium);9-(2-methylphenyl)-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide;bis(9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide) is sourced from PubChem (CID 158475657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).