1-[1,3-bis(2-methylpropyl)dibenzothiophen-2-yl]-2-phenylbenzimidazole;1-[1,3-bis(2-methylpropyl)dibenzothiophen-4-yl]-2-phenylbenzimidazole;1-[2,4-bis(2-methylpropyl)dibenzothiophen-1-yl]-2-phenylbenzimidazole;1-[2,4-bis(2-methylpropyl)dibenzothiophen-3-yl]-2-phenylbenzimidazole;tetrakis(iridium)

C132H124Ir4N8S4-4 — CID 159250290

IUPAC1-[1,3-bis(2-methylpropyl)dibenzothiophen-2-yl]-2-phenylbenzimidazole;1-[1,3-bis(2-methylpropyl)dibenzothiophen-4-yl]-2-phenylbenzimidazole;1-[2,4-bis(2-methylpropyl)dibenzothiophen-1-yl]-2-phenylbenzimidazole;1-[2,4-bis(2-methylpropyl)dibenzothiophen-3-yl]-2-phenylbenzimidazole;tetrakis(iridium)
SMILESCC(C)Cc1cc(CC(C)C)c2c(sc3ccccc32)c1-n1c(-c2[c-]cccc2)nc2ccccc21.CC(C)Cc1cc(CC(C)C)c2sc3ccccc3c2c1-n1c(-c2[c-]cccc2)nc2ccccc21.CC(C)Cc1cc2c(sc3ccccc32)c(CC(C)C)c1-n1c(-c2[c-]cccc2)nc2ccccc21.CC(C)Cc1cc2sc3ccccc3c2c(CC(C)C)c1-n1c(-c2[c-]cccc2)nc2ccccc21.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/4C33H31N2S.4Ir/c1-21(2)18-24-20-25(19-22(3)4)32-30(26-14-8-11-17-29(26)36-32)31(24)35-28-16-10-9-15-27(28)34-33(35)23-12-6-5-7-13-23;1-21(2)18-24-20-25(19-22(3)4)31(32-30(24)26-14-8-11-17-29(26)36-32)35-28-16-10-9-15-27(28)34-33(35)23-12-6-5-7-13-23;1-21(2)18-24-20-26-25-14-8-11-17-30(25)36-32(26)27(19-22(3)4)31(24)35-29-16-10-9-15-28(29)34-33(35)23-12-6-5-7-13-23;1-21(2)18-24-20-30-31(25-14-8-11-17-29(25)36-30)26(19-22(3)4)32(24)35-28-16-10-9-15-27(28)34-33(35)23-12-6-5-7-13-23;;;;/h4*5-12,14-17,20-22H,18-19H2,1-4H3;;;;/q4*-1;;;;
InChIKeyLAWMLVDPBWUMEF-UHFFFAOYSA-N
MW2719.64 g/mol
LogP37.02
Rot. Bonds24

About 1-[1,3-bis(2-methylpropyl)dibenzothiophen-2-yl]-2-phenylbenzimidazole;1-[1,3-bis(2-methylpropyl)dibenzothiophen-4-yl]-2-phenylbenzimidazole;1-[2,4-bis(2-methylpropyl)dibenzothiophen-1-yl]-2-phenylbenzimidazole;1-[2,4-bis(2-methylpropyl)dibenzothiophen-3-yl]-2-phenylbenzimidazole;tetrakis(iridium)

1-[1,3-bis(2-methylpropyl)dibenzothiophen-2-yl]-2-phenylbenzimidazole;1-[1,3-bis(2-methylpropyl)dibenzothiophen-4-yl]-2-phenylbenzimidazole;1-[2,4-bis(2-methylpropyl)dibenzothiophen-1-yl]-2-phenylbenzimidazole;1-[2,4-bis(2-methylpropyl)dibenzothiophen-3-yl]-2-phenylbenzimidazole;tetrakis(iridium) (PubChem CID 159250290) has the molecular formula C132H124Ir4N8S4-4 and a molecular weight of 2719.64 g/mol. Its IUPAC name is 1-[1,3-bis(2-methylpropyl)dibenzothiophen-2-yl]-2-phenylbenzimidazole;1-[1,3-bis(2-methylpropyl)dibenzothiophen-4-yl]-2-phenylbenzimidazole;1-[2,4-bis(2-methylpropyl)dibenzothiophen-1-yl]-2-phenylbenzimidazole;1-[2,4-bis(2-methylpropyl)dibenzothiophen-3-yl]-2-phenylbenzimidazole;tetrakis(iridium).

Molecular Properties

Compound Name1-[1,3-bis(2-methylpropyl)dibenzothiophen-2-yl]-2-phenylbenzimidazole;1-[1,3-bis(2-methylpropyl)dibenzothiophen-4-yl]-2-phenylbenzimidazole;1-[2,4-bis(2-methylpropyl)dibenzothiophen-1-yl]-2-phenylbenzimidazole;1-[2,4-bis(2-methylpropyl)dibenzothiophen-3-yl]-2-phenylbenzimidazole;tetrakis(iridium)
PubChem CID159250290
Molecular FormulaC132H124Ir4N8S4-4
Molecular Weight2719.64 g/mol
Exact Mass2720.74
IUPAC Name1-[1,3-bis(2-methylpropyl)dibenzothiophen-2-yl]-2-phenylbenzimidazole;1-[1,3-bis(2-methylpropyl)dibenzothiophen-4-yl]-2-phenylbenzimidazole;1-[2,4-bis(2-methylpropyl)dibenzothiophen-1-yl]-2-phenylbenzimidazole;1-[2,4-bis(2-methylpropyl)dibenzothiophen-3-yl]-2-phenylbenzimidazole;tetrakis(iridium)
SMILESCC(C)Cc1cc(CC(C)C)c2c(sc3ccccc32)c1-n1c(-c2[c-]cccc2)nc2ccccc21.CC(C)Cc1cc(CC(C)C)c2sc3ccccc3c2c1-n1c(-c2[c-]cccc2)nc2ccccc21.CC(C)Cc1cc2c(sc3ccccc32)c(CC(C)C)c1-n1c(-c2[c-]cccc2)nc2ccccc21.CC(C)Cc1cc2sc3ccccc3c2c(CC(C)C)c1-n1c(-c2[c-]cccc2)nc2ccccc21.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/4C33H31N2S.4Ir/c1-21(2)18-24-20-25(19-22(3)4)32-30(26-14-8-11-17-29(26)36-32)31(24)35-28-16-10-9-15-27(28)34-33(35)23-12-6-5-7-13-23;1-21(2)18-24-20-25(19-22(3)4)31(32-30(24)26-14-8-11-17-29(26)36-32)35-28-16-10-9-15-27(28)34-33(35)23-12-6-5-7-13-23;1-21(2)18-24-20-26-25-14-8-11-17-30(25)36-32(26)27(19-22(3)4)31(24)35-29-16-10-9-15-28(29)34-33(35)23-12-6-5-7-13-23;1-21(2)18-24-20-30-31(25-14-8-11-17-29(25)36-30)26(19-22(3)4)32(24)35-28-16-10-9-15-27(28)34-33(35)23-12-6-5-7-13-23;;;;/h4*5-12,14-17,20-22H,18-19H2,1-4H3;;;;/q4*-1;;;;
InChIKeyLAWMLVDPBWUMEF-UHFFFAOYSA-N
XLogP37.02
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002719.64
LogP ≤ 537.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 1-[1,3-bis(2-methylpropyl)dibenzothiophen-2-yl]-2-phenylbenzimidazole;1-[1,3-bis(2-methylpropyl)dibenzothiophen-4-yl]-2-phenylbenzimidazole;1-[2,4-bis(2-methylpropyl)dibenzothiophen-1-yl]-2-phenylbenzimidazole;1-[2,4-bis(2-methylpropyl)dibenzothiophen-3-yl]-2-phenylbenzimidazole;tetrakis(iridium) with MolForge

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

Launch Full Analysis

Related Compounds

1-[1,3-bis(2-methylpropyl)dibenzothiophen-2-yl]-2-phenylbenzimidazole;1-[2,4-bis(2-methylpropyl)dibenzothiophen-3-yl]-2-phenylbenzimidazole;1-(1,3-dicyclohexyldibenzofuran-4-yl)-2-phenylbenzimidazole;1-(2,4-dicyclohexyldibenzofuran-1-yl)-2-phenylbenzimidazole;1-[1,3-di(propan-2-yl)dibenzothiophen-2-yl]-2-phenylbenzimidazole;1-[1,3-di(propan-2-yl)dibenzothiophen-4-yl]-2-phenylbenzimidazole;1-[2,4-di(propan-2-yl)dibenzothiophen-1-yl]-2-phenylbenzimidazole;1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-2-phenylbenzimidazole;octakis(iridium)
CID 159748500
2-(3H-dibenzothiophen-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 156659592
iridium;2-(7-phenyl-3H-dibenzothiophen-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 162776935
9-[4-[3-[2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-3H-dibenzothiophen-3-id-1-yl]carbazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 164741885
2-(3H-dibenzofuran-3-id-4-yl)-1-dibenzothiophen-2-ylbenzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156660779
5-(1,3-dicyclohexyldibenzothiophen-4-yl)-11H-isoindolo[2,1-a]benzimidazol-10-ium;1-(1,3-dicyclohexyldibenzothiophen-2-yl)-2-phenylbenzimidazole;1-(2,4-dicyclohexyldibenzothiophen-1-yl)-2-phenylbenzimidazole;1-(2,4-dicyclohexyldibenzothiophen-3-yl)-2-phenylbenzimidazole;tris(iridium)
CID 158469358
CID 156657486
CID 156657486
2-(3H-dibenzothiophen-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;iridium;2-phenyl-4,5-bis(trideuteriomethyl)pyridine
CID 176784462
4-(2-deuteriopropan-2-yl)-2-phenyl-5-(trideuteriomethyl)pyridine;1-[2,6-di(propan-2-yl)phenyl]-2-[1-(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium
CID 170941193
iridium;2-(5-methyl-2H-1-benzothiophen-2-id-3-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 167332791
1-[1,3-di(propan-2-yl)dibenzothiophen-4-yl]-2-phenylimidazole;iridium
CID 58400950
1-[2,4-di(propan-2-yl)dibenzothiophen-1-yl]-2-phenylimidazole;iridium
CID 58400900

Frequently Asked Questions

What is the IUPAC name of 1-[1,3-bis(2-methylpropyl)dibenzothiophen-2-yl]-2-phenylbenzimidazole;1-[1,3-bis(2-methylpropyl)dibenzothiophen-4-yl]-2-phenylbenzimidazole;1-[2,4-bis(2-methylpropyl)dibenzothiophen-1-yl]-2-phenylbenzimidazole;1-[2,4-bis(2-methylpropyl)dibenzothiophen-3-yl]-2-phenylbenzimidazole;tetrakis(iridium)?
The IUPAC name of 1-[1,3-bis(2-methylpropyl)dibenzothiophen-2-yl]-2-phenylbenzimidazole;1-[1,3-bis(2-methylpropyl)dibenzothiophen-4-yl]-2-phenylbenzimidazole;1-[2,4-bis(2-methylpropyl)dibenzothiophen-1-yl]-2-phenylbenzimidazole;1-[2,4-bis(2-methylpropyl)dibenzothiophen-3-yl]-2-phenylbenzimidazole;tetrakis(iridium) (CID 159250290) is 1-[1,3-bis(2-methylpropyl)dibenzothiophen-2-yl]-2-phenylbenzimidazole;1-[1,3-bis(2-methylpropyl)dibenzothiophen-4-yl]-2-phenylbenzimidazole;1-[2,4-bis(2-methylpropyl)dibenzothiophen-1-yl]-2-phenylbenzimidazole;1-[2,4-bis(2-methylpropyl)dibenzothiophen-3-yl]-2-phenylbenzimidazole;tetrakis(iridium).
What is the SMILES notation for 1-[1,3-bis(2-methylpropyl)dibenzothiophen-2-yl]-2-phenylbenzimidazole;1-[1,3-bis(2-methylpropyl)dibenzothiophen-4-yl]-2-phenylbenzimidazole;1-[2,4-bis(2-methylpropyl)dibenzothiophen-1-yl]-2-phenylbenzimidazole;1-[2,4-bis(2-methylpropyl)dibenzothiophen-3-yl]-2-phenylbenzimidazole;tetrakis(iridium)?
The canonical SMILES for 1-[1,3-bis(2-methylpropyl)dibenzothiophen-2-yl]-2-phenylbenzimidazole;1-[1,3-bis(2-methylpropyl)dibenzothiophen-4-yl]-2-phenylbenzimidazole;1-[2,4-bis(2-methylpropyl)dibenzothiophen-1-yl]-2-phenylbenzimidazole;1-[2,4-bis(2-methylpropyl)dibenzothiophen-3-yl]-2-phenylbenzimidazole;tetrakis(iridium) is CC(C)Cc1cc(CC(C)C)c2c(sc3ccccc32)c1-n1c(-c2[c-]cccc2)nc2ccccc21.CC(C)Cc1cc(CC(C)C)c2sc3ccccc3c2c1-n1c(-c2[c-]cccc2)nc2ccccc21.CC(C)Cc1cc2c(sc3ccccc32)c(CC(C)C)c1-n1c(-c2[c-]cccc2)nc2ccccc21.CC(C)Cc1cc2sc3ccccc3c2c(CC(C)C)c1-n1c(-c2[c-]cccc2)nc2ccccc21.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 1-[1,3-bis(2-methylpropyl)dibenzothiophen-2-yl]-2-phenylbenzimidazole;1-[1,3-bis(2-methylpropyl)dibenzothiophen-4-yl]-2-phenylbenzimidazole;1-[2,4-bis(2-methylpropyl)dibenzothiophen-1-yl]-2-phenylbenzimidazole;1-[2,4-bis(2-methylpropyl)dibenzothiophen-3-yl]-2-phenylbenzimidazole;tetrakis(iridium)?
The InChIKey is LAWMLVDPBWUMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/4C33H31N2S.4Ir/c1-21(2)18-24-20-25(19-22(3)4)32-30(26-14-8-11-17-29(26)36-32)31(24)35-28-16-10-9-15-27(28)34-33(35)23-12-6-5-7-13-23;1-21(2)18-24-20-25(19-22(3)4)31(32-30(24)26-14-8-11-17-29(26)36-32)35-28-16-10-9-15-27(28)34-33(35)23-12-6-5-7-13-23;1-21(2)18-24-20-26-25-14-8-11-17-30(25)36-32(26)27(19-22(3)4)31(24)35-29-16-10-9-15-28(29)34-33(35)23-12-6-5-7-13-23;1-21(2)18-24-20-30-31(25-14-8-11-17-29(25)36-30)26(19-22(3)4)32(24)35-28-16-10-9-15-27(28)34-33(35)23-12-6-5-7-13-23;;;;/h4*5-12,14-17,20-22H,18-19H2,1-4H3;;;;/q4*-1;;;;.
What are the key properties of 1-[1,3-bis(2-methylpropyl)dibenzothiophen-2-yl]-2-phenylbenzimidazole;1-[1,3-bis(2-methylpropyl)dibenzothiophen-4-yl]-2-phenylbenzimidazole;1-[2,4-bis(2-methylpropyl)dibenzothiophen-1-yl]-2-phenylbenzimidazole;1-[2,4-bis(2-methylpropyl)dibenzothiophen-3-yl]-2-phenylbenzimidazole;tetrakis(iridium)?
1-[1,3-bis(2-methylpropyl)dibenzothiophen-2-yl]-2-phenylbenzimidazole;1-[1,3-bis(2-methylpropyl)dibenzothiophen-4-yl]-2-phenylbenzimidazole;1-[2,4-bis(2-methylpropyl)dibenzothiophen-1-yl]-2-phenylbenzimidazole;1-[2,4-bis(2-methylpropyl)dibenzothiophen-3-yl]-2-phenylbenzimidazole;tetrakis(iridium) has a molecular weight of 2719.64 g/mol, XLogP of 37.02, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-bis(2-methylpropyl)dibenzothiophen-2-yl]-2-phenylbenzimidazole;1-[1,3-bis(2-methylpropyl)dibenzothiophen-4-yl]-2-phenylbenzimidazole;1-[2,4-bis(2-methylpropyl)dibenzothiophen-1-yl]-2-phenylbenzimidazole;1-[2,4-bis(2-methylpropyl)dibenzothiophen-3-yl]-2-phenylbenzimidazole;tetrakis(iridium) is sourced from PubChem (CID 159250290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).