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)

C264H240Ir8N16O2S6-8 — CID 159748500

IUPAC1-[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)
SMILESCC(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.CC(C)c1cc(C(C)C)c2c(sc3ccccc32)c1-n1c(-c2[c-]cccc2)nc2ccccc21.CC(C)c1cc(C(C)C)c2sc3ccccc3c2c1-n1c(-c2[c-]cccc2)nc2ccccc21.CC(C)c1cc2c(sc3ccccc32)c(C(C)C)c1-n1c(-c2[c-]cccc2)nc2ccccc21.CC(C)c1cc2sc3ccccc3c2c(C(C)C)c1-n1c(-c2[c-]cccc2)nc2ccccc21.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1nc2ccccc2n1-c1c(C2CCCCC2)cc(C2CCCCC2)c2c1oc1ccccc12.[c-]1ccccc1-c1nc2ccccc2n1-c1c(C2CCCCC2)cc(C2CCCCC2)c2oc3ccccc3c12
InChIInChI=1S/2C37H35N2O.2C33H31N2S.4C31H27N2S.8Ir/c1-4-14-25(15-5-1)29-24-30(26-16-6-2-7-17-26)36-34(28-20-10-13-23-33(28)40-36)35(29)39-32-22-12-11-21-31(32)38-37(39)27-18-8-3-9-19-27;1-4-14-25(15-5-1)29-24-30(26-16-6-2-7-17-26)35(36-34(29)28-20-10-13-23-33(28)40-36)39-32-22-12-11-21-31(32)38-37(39)27-18-8-3-9-19-27;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;1-19(2)23-18-24-22-14-8-11-17-27(22)34-30(24)28(20(3)4)29(23)33-26-16-10-9-15-25(26)32-31(33)21-12-6-5-7-13-21;1-19(2)23-18-24(20(3)4)30-28(22-14-8-11-17-27(22)34-30)29(23)33-26-16-10-9-15-25(26)32-31(33)21-12-6-5-7-13-21;1-19(2)23-18-24(20(3)4)29(30-28(23)22-14-8-11-17-27(22)34-30)33-26-16-10-9-15-25(26)32-31(33)21-12-6-5-7-13-21;1-19(2)23-18-27-29(22-14-8-11-17-26(22)34-27)28(20(3)4)30(23)33-25-16-10-9-15-24(25)32-31(33)21-12-6-5-7-13-21;;;;;;;;/h2*3,8-13,18,20-26H,1-2,4-7,14-17H2;2*5-12,14-17,20-22H,18-19H2,1-4H3;4*5-12,14-20H,1-4H3;;;;;;;;/q8*-1;;;;;;;;
InChIKeyDVDPOSVOEDVQIS-UHFFFAOYSA-N
MW5399.07 g/mol
LogP75.90
Rot. Bonds36

About 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)

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) (PubChem CID 159748500) has the molecular formula C264H240Ir8N16O2S6-8 and a molecular weight of 5399.07 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Name1-[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)
PubChem CID159748500
Molecular FormulaC264H240Ir8N16O2S6-8
Molecular Weight5399.07 g/mol
Exact Mass5401.46
IUPAC Name1-[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)
SMILESCC(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.CC(C)c1cc(C(C)C)c2c(sc3ccccc32)c1-n1c(-c2[c-]cccc2)nc2ccccc21.CC(C)c1cc(C(C)C)c2sc3ccccc3c2c1-n1c(-c2[c-]cccc2)nc2ccccc21.CC(C)c1cc2c(sc3ccccc32)c(C(C)C)c1-n1c(-c2[c-]cccc2)nc2ccccc21.CC(C)c1cc2sc3ccccc3c2c(C(C)C)c1-n1c(-c2[c-]cccc2)nc2ccccc21.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1nc2ccccc2n1-c1c(C2CCCCC2)cc(C2CCCCC2)c2c1oc1ccccc12.[c-]1ccccc1-c1nc2ccccc2n1-c1c(C2CCCCC2)cc(C2CCCCC2)c2oc3ccccc3c12
InChIInChI=1S/2C37H35N2O.2C33H31N2S.4C31H27N2S.8Ir/c1-4-14-25(15-5-1)29-24-30(26-16-6-2-7-17-26)36-34(28-20-10-13-23-33(28)40-36)35(29)39-32-22-12-11-21-31(32)38-37(39)27-18-8-3-9-19-27;1-4-14-25(15-5-1)29-24-30(26-16-6-2-7-17-26)35(36-34(29)28-20-10-13-23-33(28)40-36)39-32-22-12-11-21-31(32)38-37(39)27-18-8-3-9-19-27;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;1-19(2)23-18-24-22-14-8-11-17-27(22)34-30(24)28(20(3)4)29(23)33-26-16-10-9-15-25(26)32-31(33)21-12-6-5-7-13-21;1-19(2)23-18-24(20(3)4)30-28(22-14-8-11-17-27(22)34-30)29(23)33-26-16-10-9-15-25(26)32-31(33)21-12-6-5-7-13-21;1-19(2)23-18-24(20(3)4)29(30-28(23)22-14-8-11-17-27(22)34-30)33-26-16-10-9-15-25(26)32-31(33)21-12-6-5-7-13-21;1-19(2)23-18-27-29(22-14-8-11-17-26(22)34-27)28(20(3)4)30(23)33-25-16-10-9-15-24(25)32-31(33)21-12-6-5-7-13-21;;;;;;;;/h2*3,8-13,18,20-26H,1-2,4-7,14-17H2;2*5-12,14-17,20-22H,18-19H2,1-4H3;4*5-12,14-20H,1-4H3;;;;;;;;/q8*-1;;;;;;;;
InChIKeyDVDPOSVOEDVQIS-UHFFFAOYSA-N
XLogP75.90
TPSA168.84 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds36
Heavy Atoms296
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005399.07
LogP ≤ 575.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 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) with MolForge

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Related Compounds

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
1-[1,3-bis(2-methylpropyl)dibenzothiophen-2-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[1,3-bis(2-methylpropyl)dibenzothiophen-4-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-bis(2-methylpropyl)dibenzothiophen-1-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-bis(2-methylpropyl)dibenzothiophen-3-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-(1,3-dicyclohexyldibenzofuran-4-yl)-5H-imidazo[2,1-a]isoindol-4-ium;1-(2,4-dicyclohexyldibenzofuran-1-yl)-5H-imidazo[2,1-a]isoindol-4-ium;1-[1,3-di(propan-2-yl)dibenzothiophen-2-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[1,3-di(propan-2-yl)dibenzothiophen-4-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-di(propan-2-yl)dibenzothiophen-1-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-5H-imidazo[2,1-a]isoindol-4-ium;methane
CID 160789650
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
1-[2,6-di(propan-2-yl)phenyl]-2-phenylbenzimidazole;iridium;1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[1-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole
CID 176751389
2-(1-cyclopentyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium
CID 156660029
1-(1,3-dicyclohexyldibenzofuran-4-yl)-2-phenylimidazole;iridium
CID 58400909
1-(2,4-dicyclohexyldibenzofuran-1-yl)-2-phenylimidazole;iridium
CID 58401045
CID 176814873
CID 176814873
1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;pentakis(1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-2-phenylimidazole);bis(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);pentakis(iridium);bis(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole)
CID 157479785
2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;iridium;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 167339169
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;5-methyl-2-phenyl-8-[1-(10-propan-2-ylphenanthren-9-yl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156669830

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is 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.CC(C)c1cc(C(C)C)c2c(sc3ccccc32)c1-n1c(-c2[c-]cccc2)nc2ccccc21.CC(C)c1cc(C(C)C)c2sc3ccccc3c2c1-n1c(-c2[c-]cccc2)nc2ccccc21.CC(C)c1cc2c(sc3ccccc32)c(C(C)C)c1-n1c(-c2[c-]cccc2)nc2ccccc21.CC(C)c1cc2sc3ccccc3c2c(C(C)C)c1-n1c(-c2[c-]cccc2)nc2ccccc21.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1nc2ccccc2n1-c1c(C2CCCCC2)cc(C2CCCCC2)c2c1oc1ccccc12.[c-]1ccccc1-c1nc2ccccc2n1-c1c(C2CCCCC2)cc(C2CCCCC2)c2oc3ccccc3c12.
What is the InChIKey of 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)?
The InChIKey is DVDPOSVOEDVQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C37H35N2O.2C33H31N2S.4C31H27N2S.8Ir/c1-4-14-25(15-5-1)29-24-30(26-16-6-2-7-17-26)36-34(28-20-10-13-23-33(28)40-36)35(29)39-32-22-12-11-21-31(32)38-37(39)27-18-8-3-9-19-27;1-4-14-25(15-5-1)29-24-30(26-16-6-2-7-17-26)35(36-34(29)28-20-10-13-23-33(28)40-36)39-32-22-12-11-21-31(32)38-37(39)27-18-8-3-9-19-27;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;1-19(2)23-18-24-22-14-8-11-17-27(22)34-30(24)28(20(3)4)29(23)33-26-16-10-9-15-25(26)32-31(33)21-12-6-5-7-13-21;1-19(2)23-18-24(20(3)4)30-28(22-14-8-11-17-27(22)34-30)29(23)33-26-16-10-9-15-25(26)32-31(33)21-12-6-5-7-13-21;1-19(2)23-18-24(20(3)4)29(30-28(23)22-14-8-11-17-27(22)34-30)33-26-16-10-9-15-25(26)32-31(33)21-12-6-5-7-13-21;1-19(2)23-18-27-29(22-14-8-11-17-26(22)34-27)28(20(3)4)30(23)33-25-16-10-9-15-24(25)32-31(33)21-12-6-5-7-13-21;;;;;;;;/h2*3,8-13,18,20-26H,1-2,4-7,14-17H2;2*5-12,14-17,20-22H,18-19H2,1-4H3;4*5-12,14-20H,1-4H3;;;;;;;;/q8*-1;;;;;;;;.
What are the key properties of 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)?
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) has a molecular weight of 5399.07 g/mol, XLogP of 75.90, 36 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 159748500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).