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

C116H116Ir4N8O4-4 — CID 158042556

IUPAC1-[1,3-bis(2-methylpropyl)dibenzofuran-2-yl]-2-phenylimidazole;1-[1,3-bis(2-methylpropyl)dibenzofuran-4-yl]-2-phenylimidazole;1-[2,4-bis(2-methylpropyl)dibenzofuran-1-yl]-2-phenylimidazole;1-[2,4-bis(2-methylpropyl)dibenzofuran-3-yl]-2-phenylimidazole;tetrakis(iridium)
SMILESCC(C)Cc1cc(CC(C)C)c2c(oc3ccccc32)c1-n1ccnc1-c1[c-]cccc1.CC(C)Cc1cc(CC(C)C)c2oc3ccccc3c2c1-n1ccnc1-c1[c-]cccc1.CC(C)Cc1cc2c(oc3ccccc32)c(CC(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)Cc1cc2oc3ccccc3c2c(CC(C)C)c1-n1ccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/4C29H29N2O.4Ir/c1-19(2)16-22-18-23(17-20(3)4)28-26(24-12-8-9-13-25(24)32-28)27(22)31-15-14-30-29(31)21-10-6-5-7-11-21;1-19(2)16-22-18-23(17-20(3)4)27(28-26(22)24-12-8-9-13-25(24)32-28)31-15-14-30-29(31)21-10-6-5-7-11-21;1-19(2)16-22-18-24-23-12-8-9-13-26(23)32-28(24)25(17-20(3)4)27(22)31-15-14-30-29(31)21-10-6-5-7-11-21;1-19(2)16-22-18-26-27(23-12-8-9-13-25(23)32-26)24(17-20(3)4)28(22)31-15-14-30-29(31)21-10-6-5-7-11-21;;;;/h4*5-10,12-15,18-20H,16-17H2,1-4H3;;;;/q4*-1;;;;
InChIKeyMACNFVSQNMUSTG-UHFFFAOYSA-N
MW2455.12 g/mol
LogP30.53
Rot. Bonds24

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

1-[1,3-bis(2-methylpropyl)dibenzofuran-2-yl]-2-phenylimidazole;1-[1,3-bis(2-methylpropyl)dibenzofuran-4-yl]-2-phenylimidazole;1-[2,4-bis(2-methylpropyl)dibenzofuran-1-yl]-2-phenylimidazole;1-[2,4-bis(2-methylpropyl)dibenzofuran-3-yl]-2-phenylimidazole;tetrakis(iridium) (PubChem CID 158042556) has the molecular formula C116H116Ir4N8O4-4 and a molecular weight of 2455.12 g/mol. Its IUPAC name is 1-[1,3-bis(2-methylpropyl)dibenzofuran-2-yl]-2-phenylimidazole;1-[1,3-bis(2-methylpropyl)dibenzofuran-4-yl]-2-phenylimidazole;1-[2,4-bis(2-methylpropyl)dibenzofuran-1-yl]-2-phenylimidazole;1-[2,4-bis(2-methylpropyl)dibenzofuran-3-yl]-2-phenylimidazole;tetrakis(iridium).

Molecular Properties

Compound Name1-[1,3-bis(2-methylpropyl)dibenzofuran-2-yl]-2-phenylimidazole;1-[1,3-bis(2-methylpropyl)dibenzofuran-4-yl]-2-phenylimidazole;1-[2,4-bis(2-methylpropyl)dibenzofuran-1-yl]-2-phenylimidazole;1-[2,4-bis(2-methylpropyl)dibenzofuran-3-yl]-2-phenylimidazole;tetrakis(iridium)
PubChem CID158042556
Molecular FormulaC116H116Ir4N8O4-4
Molecular Weight2455.12 g/mol
Exact Mass2456.77
IUPAC Name1-[1,3-bis(2-methylpropyl)dibenzofuran-2-yl]-2-phenylimidazole;1-[1,3-bis(2-methylpropyl)dibenzofuran-4-yl]-2-phenylimidazole;1-[2,4-bis(2-methylpropyl)dibenzofuran-1-yl]-2-phenylimidazole;1-[2,4-bis(2-methylpropyl)dibenzofuran-3-yl]-2-phenylimidazole;tetrakis(iridium)
SMILESCC(C)Cc1cc(CC(C)C)c2c(oc3ccccc32)c1-n1ccnc1-c1[c-]cccc1.CC(C)Cc1cc(CC(C)C)c2oc3ccccc3c2c1-n1ccnc1-c1[c-]cccc1.CC(C)Cc1cc2c(oc3ccccc32)c(CC(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)Cc1cc2oc3ccccc3c2c(CC(C)C)c1-n1ccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/4C29H29N2O.4Ir/c1-19(2)16-22-18-23(17-20(3)4)28-26(24-12-8-9-13-25(24)32-28)27(22)31-15-14-30-29(31)21-10-6-5-7-11-21;1-19(2)16-22-18-23(17-20(3)4)27(28-26(22)24-12-8-9-13-25(24)32-28)31-15-14-30-29(31)21-10-6-5-7-11-21;1-19(2)16-22-18-24-23-12-8-9-13-26(23)32-28(24)25(17-20(3)4)27(22)31-15-14-30-29(31)21-10-6-5-7-11-21;1-19(2)16-22-18-26-27(23-12-8-9-13-25(23)32-26)24(17-20(3)4)28(22)31-15-14-30-29(31)21-10-6-5-7-11-21;;;;/h4*5-10,12-15,18-20H,16-17H2,1-4H3;;;;/q4*-1;;;;
InChIKeyMACNFVSQNMUSTG-UHFFFAOYSA-N
XLogP30.53
TPSA123.84 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002455.12
LogP ≤ 530.53
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)dibenzofuran-2-yl]-2-phenylimidazole;1-[1,3-bis(2-methylpropyl)dibenzofuran-4-yl]-2-phenylimidazole;1-[2,4-bis(2-methylpropyl)dibenzofuran-1-yl]-2-phenylimidazole;1-[2,4-bis(2-methylpropyl)dibenzofuran-3-yl]-2-phenylimidazole;tetrakis(iridium) with MolForge

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Related Compounds

1-[1,3-bis(2-methylpropyl)dibenzofuran-2-yl]-2-phenylimidazole
CID 58400883
iridium;9-methyl-1,3-bis(2-methylpropyl)-2-(2-phenylimidazol-1-yl)carbazole
CID 58401026
1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;iridium
CID 58400868
1-(1,3-dicyclohexyldibenzofuran-4-yl)-2-phenylimidazole;iridium
CID 58400909
1-(2,4-dicyclohexyldibenzofuran-1-yl)-2-phenylimidazole;iridium
CID 58401045
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
1-[2,4-di(propan-2-yl)dibenzothiophen-1-yl]-2-phenylimidazole;iridium
CID 58400900
1-[[2,4-di(propan-2-yl)dibenzofuran-3-yl]methyl]-2-phenylimidazole;1-[[2,6-di(propan-2-yl)phenyl]methyl]-2-phenylimidazole;platinum(2+)
CID 171723096
1-[1,3-di(propan-2-yl)dibenzothiophen-4-yl]-2-phenylimidazole;iridium
CID 58400950
1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-(3H-dibenzofuran-3-id-2-yl)imidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dicyclohexyl-4-phenylphenyl)imidazole;1-(2,6-dicyclopentyl-4-phenylphenyl)-2-(4-phenylbenzene-6-id-1-yl)imidazole;tris(iridium)
CID 158336027
CID 158857881
CID 158857881
CID 140637851
CID 140637851

Frequently Asked Questions

What is the IUPAC name of 1-[1,3-bis(2-methylpropyl)dibenzofuran-2-yl]-2-phenylimidazole;1-[1,3-bis(2-methylpropyl)dibenzofuran-4-yl]-2-phenylimidazole;1-[2,4-bis(2-methylpropyl)dibenzofuran-1-yl]-2-phenylimidazole;1-[2,4-bis(2-methylpropyl)dibenzofuran-3-yl]-2-phenylimidazole;tetrakis(iridium)?
The IUPAC name of 1-[1,3-bis(2-methylpropyl)dibenzofuran-2-yl]-2-phenylimidazole;1-[1,3-bis(2-methylpropyl)dibenzofuran-4-yl]-2-phenylimidazole;1-[2,4-bis(2-methylpropyl)dibenzofuran-1-yl]-2-phenylimidazole;1-[2,4-bis(2-methylpropyl)dibenzofuran-3-yl]-2-phenylimidazole;tetrakis(iridium) (CID 158042556) is 1-[1,3-bis(2-methylpropyl)dibenzofuran-2-yl]-2-phenylimidazole;1-[1,3-bis(2-methylpropyl)dibenzofuran-4-yl]-2-phenylimidazole;1-[2,4-bis(2-methylpropyl)dibenzofuran-1-yl]-2-phenylimidazole;1-[2,4-bis(2-methylpropyl)dibenzofuran-3-yl]-2-phenylimidazole;tetrakis(iridium).
What is the SMILES notation for 1-[1,3-bis(2-methylpropyl)dibenzofuran-2-yl]-2-phenylimidazole;1-[1,3-bis(2-methylpropyl)dibenzofuran-4-yl]-2-phenylimidazole;1-[2,4-bis(2-methylpropyl)dibenzofuran-1-yl]-2-phenylimidazole;1-[2,4-bis(2-methylpropyl)dibenzofuran-3-yl]-2-phenylimidazole;tetrakis(iridium)?
The canonical SMILES for 1-[1,3-bis(2-methylpropyl)dibenzofuran-2-yl]-2-phenylimidazole;1-[1,3-bis(2-methylpropyl)dibenzofuran-4-yl]-2-phenylimidazole;1-[2,4-bis(2-methylpropyl)dibenzofuran-1-yl]-2-phenylimidazole;1-[2,4-bis(2-methylpropyl)dibenzofuran-3-yl]-2-phenylimidazole;tetrakis(iridium) is CC(C)Cc1cc(CC(C)C)c2c(oc3ccccc32)c1-n1ccnc1-c1[c-]cccc1.CC(C)Cc1cc(CC(C)C)c2oc3ccccc3c2c1-n1ccnc1-c1[c-]cccc1.CC(C)Cc1cc2c(oc3ccccc32)c(CC(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)Cc1cc2oc3ccccc3c2c(CC(C)C)c1-n1ccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 1-[1,3-bis(2-methylpropyl)dibenzofuran-2-yl]-2-phenylimidazole;1-[1,3-bis(2-methylpropyl)dibenzofuran-4-yl]-2-phenylimidazole;1-[2,4-bis(2-methylpropyl)dibenzofuran-1-yl]-2-phenylimidazole;1-[2,4-bis(2-methylpropyl)dibenzofuran-3-yl]-2-phenylimidazole;tetrakis(iridium)?
The InChIKey is MACNFVSQNMUSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/4C29H29N2O.4Ir/c1-19(2)16-22-18-23(17-20(3)4)28-26(24-12-8-9-13-25(24)32-28)27(22)31-15-14-30-29(31)21-10-6-5-7-11-21;1-19(2)16-22-18-23(17-20(3)4)27(28-26(22)24-12-8-9-13-25(24)32-28)31-15-14-30-29(31)21-10-6-5-7-11-21;1-19(2)16-22-18-24-23-12-8-9-13-26(23)32-28(24)25(17-20(3)4)27(22)31-15-14-30-29(31)21-10-6-5-7-11-21;1-19(2)16-22-18-26-27(23-12-8-9-13-25(23)32-26)24(17-20(3)4)28(22)31-15-14-30-29(31)21-10-6-5-7-11-21;;;;/h4*5-10,12-15,18-20H,16-17H2,1-4H3;;;;/q4*-1;;;;.
What are the key properties of 1-[1,3-bis(2-methylpropyl)dibenzofuran-2-yl]-2-phenylimidazole;1-[1,3-bis(2-methylpropyl)dibenzofuran-4-yl]-2-phenylimidazole;1-[2,4-bis(2-methylpropyl)dibenzofuran-1-yl]-2-phenylimidazole;1-[2,4-bis(2-methylpropyl)dibenzofuran-3-yl]-2-phenylimidazole;tetrakis(iridium)?
1-[1,3-bis(2-methylpropyl)dibenzofuran-2-yl]-2-phenylimidazole;1-[1,3-bis(2-methylpropyl)dibenzofuran-4-yl]-2-phenylimidazole;1-[2,4-bis(2-methylpropyl)dibenzofuran-1-yl]-2-phenylimidazole;1-[2,4-bis(2-methylpropyl)dibenzofuran-3-yl]-2-phenylimidazole;tetrakis(iridium) has a molecular weight of 2455.12 g/mol, XLogP of 30.53, 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)dibenzofuran-2-yl]-2-phenylimidazole;1-[1,3-bis(2-methylpropyl)dibenzofuran-4-yl]-2-phenylimidazole;1-[2,4-bis(2-methylpropyl)dibenzofuran-1-yl]-2-phenylimidazole;1-[2,4-bis(2-methylpropyl)dibenzofuran-3-yl]-2-phenylimidazole;tetrakis(iridium) is sourced from PubChem (CID 158042556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).