1-[2,6-bis(2-bicyclo[2.2.2]octanyl)phenyl]-2-phenylimidazole;1-[2,6-bis(2,6-dimethylphenyl)-4-phenylphenyl]-2-phenylimidazole;1-(2,6-dicyclohexyl-3-phenylphenyl)-2-phenylimidazole;bis(1-(2,6-diphenylphenyl)-2-phenylimidazole);1-[2,6-di(propan-2-yl)-4-(4-propan-2-ylphenyl)phenyl]-2-phenylimidazole;1-(2-ethyl-6-propan-2-ylphenyl)-2-phenylimidazole;pentakis(iridium);methane;tris(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole)

C291H294Ir5N20-10 — CID 161392656

IUPAC1-[2,6-bis(2-bicyclo[2.2.2]octanyl)phenyl]-2-phenylimidazole;1-[2,6-bis(2,6-dimethylphenyl)-4-phenylphenyl]-2-phenylimidazole;1-(2,6-dicyclohexyl-3-phenylphenyl)-2-phenylimidazole;bis(1-(2,6-diphenylphenyl)-2-phenylimidazole);1-[2,6-di(propan-2-yl)-4-(4-propan-2-ylphenyl)phenyl]-2-phenylimidazole;1-(2-ethyl-6-propan-2-ylphenyl)-2-phenylimidazole;pentakis(iridium);methane;tris(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole)
SMILESC.C.C.C.C.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)c1ccc(-c2cc(C(C)C)c(-n3ccnc3-c3[c-]cccc3)c(C(C)C)c2)cc1.CCc1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.Cc1cccc(C)c1-c1cc(-c2ccccc2)cc(-c2c(C)cccc2C)c1-n1ccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1nccn1-c1c(-c2ccccc2)cccc1-c1ccccc1.[c-]1ccccc1-c1nccn1-c1c(-c2ccccc2)cccc1-c1ccccc1.[c-]1ccccc1-c1nccn1-c1c(C2CC3CCC2CC3)cccc1C1CC2CCC1CC2.[c-]1ccccc1-c1nccn1-c1c(C2CCCCC2)ccc(-c2ccccc2)c1C1CCCCC1
InChIInChI=1S/C37H31N2.C33H35N2.C31H35N2.C30H33N2.2C27H19N2.3C27H27N2.C20H21N2.5CH4.5Ir/c1-25-13-11-14-26(2)34(25)32-23-31(29-17-7-5-8-18-29)24-33(35-27(3)15-12-16-28(35)4)36(32)39-22-21-38-37(39)30-19-9-6-10-20-30;1-5-13-25(14-6-1)29-21-22-30(26-15-7-2-8-16-26)32(31(29)27-17-9-3-10-18-27)35-24-23-34-33(35)28-19-11-4-12-20-28;1-2-5-25(6-3-1)31-32-17-18-33(31)30-26(28-19-21-9-13-23(28)14-10-21)7-4-8-27(30)29-20-22-11-15-24(29)16-12-22;1-20(2)23-12-14-24(15-13-23)26-18-27(21(3)4)29(28(19-26)22(5)6)32-17-16-31-30(32)25-10-8-7-9-11-25;2*1-4-11-21(12-5-1)24-17-10-18-25(22-13-6-2-7-14-22)26(24)29-20-19-28-27(29)23-15-8-3-9-16-23;3*1-19(2)24-17-23(21-11-7-5-8-12-21)18-25(20(3)4)26(24)29-16-15-28-27(29)22-13-9-6-10-14-22;1-4-16-11-8-12-18(15(2)3)19(16)22-14-13-21-20(22)17-9-6-5-7-10-17;;;;;;;;;;/h5-19,21-24H,1-4H3;1,4-6,11-14,19,21-24,26-27H,2-3,7-10,15-18H2;1-5,7-8,17-18,21-24,28-29H,9-16,19-20H2;7-10,12-22H,1-6H3;2*1-15,17-20H;3*5-13,15-20H,1-4H3;5-9,11-15H,4H2,1-3H3;5*1H4;;;;;/q10*-1;;;;;;;;;;
InChIKeyJTGFAVOOCUROPN-UHFFFAOYSA-N
MW5032.78 g/mol
LogP78.28
Rot. Bonds47

About 1-[2,6-bis(2-bicyclo[2.2.2]octanyl)phenyl]-2-phenylimidazole;1-[2,6-bis(2,6-dimethylphenyl)-4-phenylphenyl]-2-phenylimidazole;1-(2,6-dicyclohexyl-3-phenylphenyl)-2-phenylimidazole;bis(1-(2,6-diphenylphenyl)-2-phenylimidazole);1-[2,6-di(propan-2-yl)-4-(4-propan-2-ylphenyl)phenyl]-2-phenylimidazole;1-(2-ethyl-6-propan-2-ylphenyl)-2-phenylimidazole;pentakis(iridium);methane;tris(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole)

1-[2,6-bis(2-bicyclo[2.2.2]octanyl)phenyl]-2-phenylimidazole;1-[2,6-bis(2,6-dimethylphenyl)-4-phenylphenyl]-2-phenylimidazole;1-(2,6-dicyclohexyl-3-phenylphenyl)-2-phenylimidazole;bis(1-(2,6-diphenylphenyl)-2-phenylimidazole);1-[2,6-di(propan-2-yl)-4-(4-propan-2-ylphenyl)phenyl]-2-phenylimidazole;1-(2-ethyl-6-propan-2-ylphenyl)-2-phenylimidazole;pentakis(iridium);methane;tris(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole) (PubChem CID 161392656) has the molecular formula C291H294Ir5N20-10 and a molecular weight of 5032.78 g/mol. Its IUPAC name is 1-[2,6-bis(2-bicyclo[2.2.2]octanyl)phenyl]-2-phenylimidazole;1-[2,6-bis(2,6-dimethylphenyl)-4-phenylphenyl]-2-phenylimidazole;1-(2,6-dicyclohexyl-3-phenylphenyl)-2-phenylimidazole;bis(1-(2,6-diphenylphenyl)-2-phenylimidazole);1-[2,6-di(propan-2-yl)-4-(4-propan-2-ylphenyl)phenyl]-2-phenylimidazole;1-(2-ethyl-6-propan-2-ylphenyl)-2-phenylimidazole;pentakis(iridium);methane;tris(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole).

Molecular Properties

Compound Name1-[2,6-bis(2-bicyclo[2.2.2]octanyl)phenyl]-2-phenylimidazole;1-[2,6-bis(2,6-dimethylphenyl)-4-phenylphenyl]-2-phenylimidazole;1-(2,6-dicyclohexyl-3-phenylphenyl)-2-phenylimidazole;bis(1-(2,6-diphenylphenyl)-2-phenylimidazole);1-[2,6-di(propan-2-yl)-4-(4-propan-2-ylphenyl)phenyl]-2-phenylimidazole;1-(2-ethyl-6-propan-2-ylphenyl)-2-phenylimidazole;pentakis(iridium);methane;tris(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole)
PubChem CID161392656
Molecular FormulaC291H294Ir5N20-10
Molecular Weight5032.78 g/mol
Exact Mass5033.18
IUPAC Name1-[2,6-bis(2-bicyclo[2.2.2]octanyl)phenyl]-2-phenylimidazole;1-[2,6-bis(2,6-dimethylphenyl)-4-phenylphenyl]-2-phenylimidazole;1-(2,6-dicyclohexyl-3-phenylphenyl)-2-phenylimidazole;bis(1-(2,6-diphenylphenyl)-2-phenylimidazole);1-[2,6-di(propan-2-yl)-4-(4-propan-2-ylphenyl)phenyl]-2-phenylimidazole;1-(2-ethyl-6-propan-2-ylphenyl)-2-phenylimidazole;pentakis(iridium);methane;tris(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole)
SMILESC.C.C.C.C.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)c1ccc(-c2cc(C(C)C)c(-n3ccnc3-c3[c-]cccc3)c(C(C)C)c2)cc1.CCc1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.Cc1cccc(C)c1-c1cc(-c2ccccc2)cc(-c2c(C)cccc2C)c1-n1ccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1nccn1-c1c(-c2ccccc2)cccc1-c1ccccc1.[c-]1ccccc1-c1nccn1-c1c(-c2ccccc2)cccc1-c1ccccc1.[c-]1ccccc1-c1nccn1-c1c(C2CC3CCC2CC3)cccc1C1CC2CCC1CC2.[c-]1ccccc1-c1nccn1-c1c(C2CCCCC2)ccc(-c2ccccc2)c1C1CCCCC1
InChIInChI=1S/C37H31N2.C33H35N2.C31H35N2.C30H33N2.2C27H19N2.3C27H27N2.C20H21N2.5CH4.5Ir/c1-25-13-11-14-26(2)34(25)32-23-31(29-17-7-5-8-18-29)24-33(35-27(3)15-12-16-28(35)4)36(32)39-22-21-38-37(39)30-19-9-6-10-20-30;1-5-13-25(14-6-1)29-21-22-30(26-15-7-2-8-16-26)32(31(29)27-17-9-3-10-18-27)35-24-23-34-33(35)28-19-11-4-12-20-28;1-2-5-25(6-3-1)31-32-17-18-33(31)30-26(28-19-21-9-13-23(28)14-10-21)7-4-8-27(30)29-20-22-11-15-24(29)16-12-22;1-20(2)23-12-14-24(15-13-23)26-18-27(21(3)4)29(28(19-26)22(5)6)32-17-16-31-30(32)25-10-8-7-9-11-25;2*1-4-11-21(12-5-1)24-17-10-18-25(22-13-6-2-7-14-22)26(24)29-20-19-28-27(29)23-15-8-3-9-16-23;3*1-19(2)24-17-23(21-11-7-5-8-12-21)18-25(20(3)4)26(24)29-16-15-28-27(29)22-13-9-6-10-14-22;1-4-16-11-8-12-18(15(2)3)19(16)22-14-13-21-20(22)17-9-6-5-7-10-17;;;;;;;;;;/h5-19,21-24H,1-4H3;1,4-6,11-14,19,21-24,26-27H,2-3,7-10,15-18H2;1-5,7-8,17-18,21-24,28-29H,9-16,19-20H2;7-10,12-22H,1-6H3;2*1-15,17-20H;3*5-13,15-20H,1-4H3;5-9,11-15H,4H2,1-3H3;5*1H4;;;;;/q10*-1;;;;;;;;;;
InChIKeyJTGFAVOOCUROPN-UHFFFAOYSA-N
XLogP78.28
TPSA178.20 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds47
Heavy Atoms316
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005032.78
LogP ≤ 578.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 1-[2,6-bis(2-bicyclo[2.2.2]octanyl)phenyl]-2-phenylimidazole;1-[2,6-bis(2,6-dimethylphenyl)-4-phenylphenyl]-2-phenylimidazole;1-(2,6-dicyclohexyl-3-phenylphenyl)-2-phenylimidazole;bis(1-(2,6-diphenylphenyl)-2-phenylimidazole);1-[2,6-di(propan-2-yl)-4-(4-propan-2-ylphenyl)phenyl]-2-phenylimidazole;1-(2-ethyl-6-propan-2-ylphenyl)-2-phenylimidazole;pentakis(iridium);methane;tris(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2,6-bis(2-bicyclo[2.2.2]octanyl)phenyl]-2-phenylimidazole;1-[2,6-bis(2,6-dimethylphenyl)-4-phenylphenyl]-2-phenylimidazole;1-(2,6-dicyclohexyl-3-phenylphenyl)-2-phenylimidazole;bis(1-(2,6-diphenylphenyl)-2-phenylimidazole);1-[2,6-di(propan-2-yl)-4-(4-propan-2-ylphenyl)phenyl]-2-phenylimidazole;1-(2-ethyl-6-propan-2-ylphenyl)-2-phenylimidazole;pentakis(iridium);methane;tris(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole)?
The IUPAC name of 1-[2,6-bis(2-bicyclo[2.2.2]octanyl)phenyl]-2-phenylimidazole;1-[2,6-bis(2,6-dimethylphenyl)-4-phenylphenyl]-2-phenylimidazole;1-(2,6-dicyclohexyl-3-phenylphenyl)-2-phenylimidazole;bis(1-(2,6-diphenylphenyl)-2-phenylimidazole);1-[2,6-di(propan-2-yl)-4-(4-propan-2-ylphenyl)phenyl]-2-phenylimidazole;1-(2-ethyl-6-propan-2-ylphenyl)-2-phenylimidazole;pentakis(iridium);methane;tris(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole) (CID 161392656) is 1-[2,6-bis(2-bicyclo[2.2.2]octanyl)phenyl]-2-phenylimidazole;1-[2,6-bis(2,6-dimethylphenyl)-4-phenylphenyl]-2-phenylimidazole;1-(2,6-dicyclohexyl-3-phenylphenyl)-2-phenylimidazole;bis(1-(2,6-diphenylphenyl)-2-phenylimidazole);1-[2,6-di(propan-2-yl)-4-(4-propan-2-ylphenyl)phenyl]-2-phenylimidazole;1-(2-ethyl-6-propan-2-ylphenyl)-2-phenylimidazole;pentakis(iridium);methane;tris(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole).
What is the SMILES notation for 1-[2,6-bis(2-bicyclo[2.2.2]octanyl)phenyl]-2-phenylimidazole;1-[2,6-bis(2,6-dimethylphenyl)-4-phenylphenyl]-2-phenylimidazole;1-(2,6-dicyclohexyl-3-phenylphenyl)-2-phenylimidazole;bis(1-(2,6-diphenylphenyl)-2-phenylimidazole);1-[2,6-di(propan-2-yl)-4-(4-propan-2-ylphenyl)phenyl]-2-phenylimidazole;1-(2-ethyl-6-propan-2-ylphenyl)-2-phenylimidazole;pentakis(iridium);methane;tris(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole)?
The canonical SMILES for 1-[2,6-bis(2-bicyclo[2.2.2]octanyl)phenyl]-2-phenylimidazole;1-[2,6-bis(2,6-dimethylphenyl)-4-phenylphenyl]-2-phenylimidazole;1-(2,6-dicyclohexyl-3-phenylphenyl)-2-phenylimidazole;bis(1-(2,6-diphenylphenyl)-2-phenylimidazole);1-[2,6-di(propan-2-yl)-4-(4-propan-2-ylphenyl)phenyl]-2-phenylimidazole;1-(2-ethyl-6-propan-2-ylphenyl)-2-phenylimidazole;pentakis(iridium);methane;tris(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole) is C.C.C.C.C.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)c1ccc(-c2cc(C(C)C)c(-n3ccnc3-c3[c-]cccc3)c(C(C)C)c2)cc1.CCc1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.Cc1cccc(C)c1-c1cc(-c2ccccc2)cc(-c2c(C)cccc2C)c1-n1ccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1nccn1-c1c(-c2ccccc2)cccc1-c1ccccc1.[c-]1ccccc1-c1nccn1-c1c(-c2ccccc2)cccc1-c1ccccc1.[c-]1ccccc1-c1nccn1-c1c(C2CC3CCC2CC3)cccc1C1CC2CCC1CC2.[c-]1ccccc1-c1nccn1-c1c(C2CCCCC2)ccc(-c2ccccc2)c1C1CCCCC1.
What is the InChIKey of 1-[2,6-bis(2-bicyclo[2.2.2]octanyl)phenyl]-2-phenylimidazole;1-[2,6-bis(2,6-dimethylphenyl)-4-phenylphenyl]-2-phenylimidazole;1-(2,6-dicyclohexyl-3-phenylphenyl)-2-phenylimidazole;bis(1-(2,6-diphenylphenyl)-2-phenylimidazole);1-[2,6-di(propan-2-yl)-4-(4-propan-2-ylphenyl)phenyl]-2-phenylimidazole;1-(2-ethyl-6-propan-2-ylphenyl)-2-phenylimidazole;pentakis(iridium);methane;tris(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole)?
The InChIKey is JTGFAVOOCUROPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H31N2.C33H35N2.C31H35N2.C30H33N2.2C27H19N2.3C27H27N2.C20H21N2.5CH4.5Ir/c1-25-13-11-14-26(2)34(25)32-23-31(29-17-7-5-8-18-29)24-33(35-27(3)15-12-16-28(35)4)36(32)39-22-21-38-37(39)30-19-9-6-10-20-30;1-5-13-25(14-6-1)29-21-22-30(26-15-7-2-8-16-26)32(31(29)27-17-9-3-10-18-27)35-24-23-34-33(35)28-19-11-4-12-20-28;1-2-5-25(6-3-1)31-32-17-18-33(31)30-26(28-19-21-9-13-23(28)14-10-21)7-4-8-27(30)29-20-22-11-15-24(29)16-12-22;1-20(2)23-12-14-24(15-13-23)26-18-27(21(3)4)29(28(19-26)22(5)6)32-17-16-31-30(32)25-10-8-7-9-11-25;2*1-4-11-21(12-5-1)24-17-10-18-25(22-13-6-2-7-14-22)26(24)29-20-19-28-27(29)23-15-8-3-9-16-23;3*1-19(2)24-17-23(21-11-7-5-8-12-21)18-25(20(3)4)26(24)29-16-15-28-27(29)22-13-9-6-10-14-22;1-4-16-11-8-12-18(15(2)3)19(16)22-14-13-21-20(22)17-9-6-5-7-10-17;;;;;;;;;;/h5-19,21-24H,1-4H3;1,4-6,11-14,19,21-24,26-27H,2-3,7-10,15-18H2;1-5,7-8,17-18,21-24,28-29H,9-16,19-20H2;7-10,12-22H,1-6H3;2*1-15,17-20H;3*5-13,15-20H,1-4H3;5-9,11-15H,4H2,1-3H3;5*1H4;;;;;/q10*-1;;;;;;;;;;.
What are the key properties of 1-[2,6-bis(2-bicyclo[2.2.2]octanyl)phenyl]-2-phenylimidazole;1-[2,6-bis(2,6-dimethylphenyl)-4-phenylphenyl]-2-phenylimidazole;1-(2,6-dicyclohexyl-3-phenylphenyl)-2-phenylimidazole;bis(1-(2,6-diphenylphenyl)-2-phenylimidazole);1-[2,6-di(propan-2-yl)-4-(4-propan-2-ylphenyl)phenyl]-2-phenylimidazole;1-(2-ethyl-6-propan-2-ylphenyl)-2-phenylimidazole;pentakis(iridium);methane;tris(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole)?
1-[2,6-bis(2-bicyclo[2.2.2]octanyl)phenyl]-2-phenylimidazole;1-[2,6-bis(2,6-dimethylphenyl)-4-phenylphenyl]-2-phenylimidazole;1-(2,6-dicyclohexyl-3-phenylphenyl)-2-phenylimidazole;bis(1-(2,6-diphenylphenyl)-2-phenylimidazole);1-[2,6-di(propan-2-yl)-4-(4-propan-2-ylphenyl)phenyl]-2-phenylimidazole;1-(2-ethyl-6-propan-2-ylphenyl)-2-phenylimidazole;pentakis(iridium);methane;tris(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole) has a molecular weight of 5032.78 g/mol, XLogP of 78.28, 47 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-bis(2-bicyclo[2.2.2]octanyl)phenyl]-2-phenylimidazole;1-[2,6-bis(2,6-dimethylphenyl)-4-phenylphenyl]-2-phenylimidazole;1-(2,6-dicyclohexyl-3-phenylphenyl)-2-phenylimidazole;bis(1-(2,6-diphenylphenyl)-2-phenylimidazole);1-[2,6-di(propan-2-yl)-4-(4-propan-2-ylphenyl)phenyl]-2-phenylimidazole;1-(2-ethyl-6-propan-2-ylphenyl)-2-phenylimidazole;pentakis(iridium);methane;tris(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole) is sourced from PubChem (CID 161392656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).