1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(1-(2-ethyl-6-propan-2-ylphenyl)-2-phenylimidazole);tetrakis(iridium);methane;1-[4-(1-methylpyrrolidin-3-yl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[4-(oxan-4-yl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;9-phenyl-3-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]carbazole

C203H226Ir4N18O-8 — CID 158843295

IUPAC1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(1-(2-ethyl-6-propan-2-ylphenyl)-2-phenylimidazole);tetrakis(iridium);methane;1-[4-(1-methylpyrrolidin-3-yl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[4-(oxan-4-yl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;9-phenyl-3-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]carbazole
SMILESC.C.C.C.CC(C)c1cc(-c2ccc3c(c2)c2ccccc2n3-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(C2CCN(C)C2)cc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)c1cc(C2CCOCC2)cc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CCc1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CCc1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CCc1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C39H34N3.C27H27N2.C26H32N3.C26H31N2O.C21H23N2.3C20H21N2.4CH4.4Ir/c1-26(2)33-24-30(25-34(27(3)4)38(33)41-22-21-40-39(41)28-13-7-5-8-14-28)29-19-20-37-35(23-29)32-17-11-12-18-36(32)42(37)31-15-9-6-10-16-31;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;1-18(2)23-15-22(21-11-13-28(5)17-21)16-24(19(3)4)25(23)29-14-12-27-26(29)20-9-7-6-8-10-20;1-18(2)23-16-22(20-10-14-29-15-11-20)17-24(19(3)4)25(23)28-13-12-27-26(28)21-8-6-5-7-9-21;1-15(2)18-11-8-12-19(16(3)4)20(18)23-14-13-22-21(23)17-9-6-5-7-10-17;3*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;;;;;;;;/h5-13,15-27H,1-4H3;5-13,15-20H,1-4H3;6-9,12,14-16,18-19,21H,11,13,17H2,1-5H3;5-8,12-13,16-20H,10-11,14-15H2,1-4H3;5-9,11-16H,1-4H3;3*5-9,11-15H,4H2,1-3H3;4*1H4;;;;/q8*-1;;;;;;;;
InChIKeyNRDKWGIPRLTEJJ-UHFFFAOYSA-N
MW3703.03 g/mol
LogP53.29
Rot. Bonds37

About 1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(1-(2-ethyl-6-propan-2-ylphenyl)-2-phenylimidazole);tetrakis(iridium);methane;1-[4-(1-methylpyrrolidin-3-yl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[4-(oxan-4-yl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;9-phenyl-3-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]carbazole

1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(1-(2-ethyl-6-propan-2-ylphenyl)-2-phenylimidazole);tetrakis(iridium);methane;1-[4-(1-methylpyrrolidin-3-yl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[4-(oxan-4-yl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;9-phenyl-3-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]carbazole (PubChem CID 158843295) has the molecular formula C203H226Ir4N18O-8 and a molecular weight of 3703.03 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(1-(2-ethyl-6-propan-2-ylphenyl)-2-phenylimidazole);tetrakis(iridium);methane;1-[4-(1-methylpyrrolidin-3-yl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[4-(oxan-4-yl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;9-phenyl-3-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(1-(2-ethyl-6-propan-2-ylphenyl)-2-phenylimidazole);tetrakis(iridium);methane;1-[4-(1-methylpyrrolidin-3-yl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[4-(oxan-4-yl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;9-phenyl-3-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]carbazole
PubChem CID158843295
Molecular FormulaC203H226Ir4N18O-8
Molecular Weight3703.03 g/mol
Exact Mass3703.67
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(1-(2-ethyl-6-propan-2-ylphenyl)-2-phenylimidazole);tetrakis(iridium);methane;1-[4-(1-methylpyrrolidin-3-yl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[4-(oxan-4-yl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;9-phenyl-3-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]carbazole
SMILESC.C.C.C.CC(C)c1cc(-c2ccc3c(c2)c2ccccc2n3-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(C2CCN(C)C2)cc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)c1cc(C2CCOCC2)cc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CCc1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CCc1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CCc1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C39H34N3.C27H27N2.C26H32N3.C26H31N2O.C21H23N2.3C20H21N2.4CH4.4Ir/c1-26(2)33-24-30(25-34(27(3)4)38(33)41-22-21-40-39(41)28-13-7-5-8-14-28)29-19-20-37-35(23-29)32-17-11-12-18-36(32)42(37)31-15-9-6-10-16-31;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;1-18(2)23-15-22(21-11-13-28(5)17-21)16-24(19(3)4)25(23)29-14-12-27-26(29)20-9-7-6-8-10-20;1-18(2)23-16-22(20-10-14-29-15-11-20)17-24(19(3)4)25(23)28-13-12-27-26(28)21-8-6-5-7-9-21;1-15(2)18-11-8-12-19(16(3)4)20(18)23-14-13-22-21(23)17-9-6-5-7-10-17;3*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;;;;;;;;/h5-13,15-27H,1-4H3;5-13,15-20H,1-4H3;6-9,12,14-16,18-19,21H,11,13,17H2,1-5H3;5-8,12-13,16-20H,10-11,14-15H2,1-4H3;5-9,11-16H,1-4H3;3*5-9,11-15H,4H2,1-3H3;4*1H4;;;;/q8*-1;;;;;;;;
InChIKeyNRDKWGIPRLTEJJ-UHFFFAOYSA-N
XLogP53.29
TPSA159.96 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds37
Heavy Atoms226
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003703.03
LogP ≤ 553.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(1-(2-ethyl-6-propan-2-ylphenyl)-2-phenylimidazole);tetrakis(iridium);methane;1-[4-(1-methylpyrrolidin-3-yl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[4-(oxan-4-yl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;9-phenyl-3-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(1-(2-ethyl-6-propan-2-ylphenyl)-2-phenylimidazole);tetrakis(iridium);methane;1-[4-(1-methylpyrrolidin-3-yl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[4-(oxan-4-yl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;9-phenyl-3-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]carbazole?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(1-(2-ethyl-6-propan-2-ylphenyl)-2-phenylimidazole);tetrakis(iridium);methane;1-[4-(1-methylpyrrolidin-3-yl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[4-(oxan-4-yl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;9-phenyl-3-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]carbazole (CID 158843295) is 1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(1-(2-ethyl-6-propan-2-ylphenyl)-2-phenylimidazole);tetrakis(iridium);methane;1-[4-(1-methylpyrrolidin-3-yl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[4-(oxan-4-yl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;9-phenyl-3-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]carbazole.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(1-(2-ethyl-6-propan-2-ylphenyl)-2-phenylimidazole);tetrakis(iridium);methane;1-[4-(1-methylpyrrolidin-3-yl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[4-(oxan-4-yl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;9-phenyl-3-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]carbazole?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(1-(2-ethyl-6-propan-2-ylphenyl)-2-phenylimidazole);tetrakis(iridium);methane;1-[4-(1-methylpyrrolidin-3-yl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[4-(oxan-4-yl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;9-phenyl-3-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]carbazole is C.C.C.C.CC(C)c1cc(-c2ccc3c(c2)c2ccccc2n3-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(C2CCN(C)C2)cc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)c1cc(C2CCOCC2)cc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CCc1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CCc1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CCc1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(1-(2-ethyl-6-propan-2-ylphenyl)-2-phenylimidazole);tetrakis(iridium);methane;1-[4-(1-methylpyrrolidin-3-yl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[4-(oxan-4-yl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;9-phenyl-3-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]carbazole?
The InChIKey is NRDKWGIPRLTEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H34N3.C27H27N2.C26H32N3.C26H31N2O.C21H23N2.3C20H21N2.4CH4.4Ir/c1-26(2)33-24-30(25-34(27(3)4)38(33)41-22-21-40-39(41)28-13-7-5-8-14-28)29-19-20-37-35(23-29)32-17-11-12-18-36(32)42(37)31-15-9-6-10-16-31;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;1-18(2)23-15-22(21-11-13-28(5)17-21)16-24(19(3)4)25(23)29-14-12-27-26(29)20-9-7-6-8-10-20;1-18(2)23-16-22(20-10-14-29-15-11-20)17-24(19(3)4)25(23)28-13-12-27-26(28)21-8-6-5-7-9-21;1-15(2)18-11-8-12-19(16(3)4)20(18)23-14-13-22-21(23)17-9-6-5-7-10-17;3*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;;;;;;;;/h5-13,15-27H,1-4H3;5-13,15-20H,1-4H3;6-9,12,14-16,18-19,21H,11,13,17H2,1-5H3;5-8,12-13,16-20H,10-11,14-15H2,1-4H3;5-9,11-16H,1-4H3;3*5-9,11-15H,4H2,1-3H3;4*1H4;;;;/q8*-1;;;;;;;;.
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(1-(2-ethyl-6-propan-2-ylphenyl)-2-phenylimidazole);tetrakis(iridium);methane;1-[4-(1-methylpyrrolidin-3-yl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[4-(oxan-4-yl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;9-phenyl-3-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]carbazole?
1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(1-(2-ethyl-6-propan-2-ylphenyl)-2-phenylimidazole);tetrakis(iridium);methane;1-[4-(1-methylpyrrolidin-3-yl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[4-(oxan-4-yl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;9-phenyl-3-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]carbazole has a molecular weight of 3703.03 g/mol, XLogP of 53.29, 37 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(1-(2-ethyl-6-propan-2-ylphenyl)-2-phenylimidazole);tetrakis(iridium);methane;1-[4-(1-methylpyrrolidin-3-yl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[4-(oxan-4-yl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;9-phenyl-3-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]carbazole is sourced from PubChem (CID 158843295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).