3-(2,9-dihydrofluoren-2-id-1-yl)-1-(1,1,1,2-tetradeuteriopropan-2-yl)-2,3-dihydropyrrol-2-ide;3-(2,9-dihydrofluoren-2-id-1-yl)-1-(2,2,2-trideuterioethyl)-2,3-dihydropyrrol-2-ide;bis(iridium(3+));bis(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole)

C93H90Ir2N6 — CID 159407769

IUPAC3-(2,9-dihydrofluoren-2-id-1-yl)-1-(1,1,1,2-tetradeuteriopropan-2-yl)-2,3-dihydropyrrol-2-ide;3-(2,9-dihydrofluoren-2-id-1-yl)-1-(2,2,2-trideuterioethyl)-2,3-dihydropyrrol-2-ide;bis(iridium(3+));bis(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole)
SMILESCC(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.[2H]C([2H])([2H])C([2H])(C)N1C=CC(c2[c-]ccc3c2Cc2ccccc2-3)[CH-]1.[2H]C([2H])([2H])CN1C=CC(c2[c-]ccc3c2Cc2ccccc2-3)[CH-]1.[Ir+3].[Ir+3]
InChIInChI=1S/2C27H27N2.C20H19N.C19H17N.2Ir/c2*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;1-14(2)21-11-10-16(13-21)18-8-5-9-19-17-7-4-3-6-15(17)12-20(18)19;1-2-20-11-10-15(13-20)17-8-5-9-18-16-7-4-3-6-14(16)12-19(17)18;;/h2*5-13,15-20H,1-4H3;3-7,9-11,13-14,16H,12H2,1-2H3;3-7,9-11,13,15H,2,12H2,1H3;;/q2*-1;2*-2;2*+3/i;;1D3,14D;1D3;;
InChIKeySGXHUHOBGPBUHU-YYUVBABFSA-N
MW1683.26 g/mol
LogP23.20
Rot. Bonds16

About 3-(2,9-dihydrofluoren-2-id-1-yl)-1-(1,1,1,2-tetradeuteriopropan-2-yl)-2,3-dihydropyrrol-2-ide;3-(2,9-dihydrofluoren-2-id-1-yl)-1-(2,2,2-trideuterioethyl)-2,3-dihydropyrrol-2-ide;bis(iridium(3+));bis(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole)

3-(2,9-dihydrofluoren-2-id-1-yl)-1-(1,1,1,2-tetradeuteriopropan-2-yl)-2,3-dihydropyrrol-2-ide;3-(2,9-dihydrofluoren-2-id-1-yl)-1-(2,2,2-trideuterioethyl)-2,3-dihydropyrrol-2-ide;bis(iridium(3+));bis(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole) (PubChem CID 159407769) has the molecular formula C93H90Ir2N6 and a molecular weight of 1683.26 g/mol. Its IUPAC name is 3-(2,9-dihydrofluoren-2-id-1-yl)-1-(1,1,1,2-tetradeuteriopropan-2-yl)-2,3-dihydropyrrol-2-ide;3-(2,9-dihydrofluoren-2-id-1-yl)-1-(2,2,2-trideuterioethyl)-2,3-dihydropyrrol-2-ide;bis(iridium(3+));bis(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole).

Molecular Properties

Compound Name3-(2,9-dihydrofluoren-2-id-1-yl)-1-(1,1,1,2-tetradeuteriopropan-2-yl)-2,3-dihydropyrrol-2-ide;3-(2,9-dihydrofluoren-2-id-1-yl)-1-(2,2,2-trideuterioethyl)-2,3-dihydropyrrol-2-ide;bis(iridium(3+));bis(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole)
PubChem CID159407769
Molecular FormulaC93H90Ir2N6
Molecular Weight1683.26 g/mol
Exact Mass1683.69
IUPAC Name3-(2,9-dihydrofluoren-2-id-1-yl)-1-(1,1,1,2-tetradeuteriopropan-2-yl)-2,3-dihydropyrrol-2-ide;3-(2,9-dihydrofluoren-2-id-1-yl)-1-(2,2,2-trideuterioethyl)-2,3-dihydropyrrol-2-ide;bis(iridium(3+));bis(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole)
SMILESCC(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.[2H]C([2H])([2H])C([2H])(C)N1C=CC(c2[c-]ccc3c2Cc2ccccc2-3)[CH-]1.[2H]C([2H])([2H])CN1C=CC(c2[c-]ccc3c2Cc2ccccc2-3)[CH-]1.[Ir+3].[Ir+3]
InChIInChI=1S/2C27H27N2.C20H19N.C19H17N.2Ir/c2*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;1-14(2)21-11-10-16(13-21)18-8-5-9-19-17-7-4-3-6-15(17)12-20(18)19;1-2-20-11-10-15(13-20)17-8-5-9-18-16-7-4-3-6-14(16)12-19(17)18;;/h2*5-13,15-20H,1-4H3;3-7,9-11,13-14,16H,12H2,1-2H3;3-7,9-11,13,15H,2,12H2,1H3;;/q2*-1;2*-2;2*+3/i;;1D3,14D;1D3;;
InChIKeySGXHUHOBGPBUHU-YYUVBABFSA-N
XLogP23.20
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001683.26
LogP ≤ 523.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(2,9-dihydrofluoren-2-id-1-yl)-1-(1,1,1,2-tetradeuteriopropan-2-yl)-2,3-dihydropyrrol-2-ide;3-(2,9-dihydrofluoren-2-id-1-yl)-1-(2,2,2-trideuterioethyl)-2,3-dihydropyrrol-2-ide;bis(iridium(3+));bis(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole) with MolForge

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Related Compounds

iridium;1-phenyl-2-phenylbenzimidazole;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole
CID 58175662
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CID 170539461
1-(2,6-dicyclohexyl-4-phenylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-[4-(3,5-diphenylphenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;2-(4-fluorobenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;tetrakis(iridium);2-phenyl-1-[4-(3-phenylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole
CID 162032684
iridium(3+);tris(1-(2-pentan-2-yl-6-phenylphenyl)-2-phenylimidazole)
CID 86292853
tris(1-[2-(2,6-dimethylphenyl)-6-propan-2-ylphenyl]-2-phenylimidazole);iridium(3+)
CID 86292659
1-[2,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)phenyl]-2-phenylimidazole;iridium
CID 59546936
2-[3-[3,5-bis(4-tert-butylphenyl)-2-methylphenyl]benzene-6-id-1-yl]-1-(2,6-dimethylphenyl)imidazole;1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-(2,6-dimethylphenyl)-2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]imidazole;tris(iridium)
CID 161273432
iridium(3+);2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;3-phenyl-1-phenyl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2H-benzimidazol-3-ium-2-ide
CID 176585770
1-[2,6-dicyclopentyl-4-(4-propan-2-ylphenyl)phenyl]-2-phenylimidazole;iridium
CID 58175683
1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-(2,6-dicyclohexyl-4-phenylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;2-(4-fluorobenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;tetrakis(iridium);methane;2-phenyl-1-[4-(3-phenylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole
CID 157303526
1-(2,6-diphenylphenyl)-2-(8-propan-2-yl-9H-fluoren-3-yl)imidazole
CID 157071035
1-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;bis(iridium(3+));1-methyl-3-(1,2,3,5-tetrahydroinden-5-id-4-yl)-2H-imidazol-2-ide;bis(2-phenyl-1-[2,4,6-tri(propan-2-yl)phenyl]imidazole)
CID 162023142

Frequently Asked Questions

What is the IUPAC name of 3-(2,9-dihydrofluoren-2-id-1-yl)-1-(1,1,1,2-tetradeuteriopropan-2-yl)-2,3-dihydropyrrol-2-ide;3-(2,9-dihydrofluoren-2-id-1-yl)-1-(2,2,2-trideuterioethyl)-2,3-dihydropyrrol-2-ide;bis(iridium(3+));bis(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole)?
The IUPAC name of 3-(2,9-dihydrofluoren-2-id-1-yl)-1-(1,1,1,2-tetradeuteriopropan-2-yl)-2,3-dihydropyrrol-2-ide;3-(2,9-dihydrofluoren-2-id-1-yl)-1-(2,2,2-trideuterioethyl)-2,3-dihydropyrrol-2-ide;bis(iridium(3+));bis(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole) (CID 159407769) is 3-(2,9-dihydrofluoren-2-id-1-yl)-1-(1,1,1,2-tetradeuteriopropan-2-yl)-2,3-dihydropyrrol-2-ide;3-(2,9-dihydrofluoren-2-id-1-yl)-1-(2,2,2-trideuterioethyl)-2,3-dihydropyrrol-2-ide;bis(iridium(3+));bis(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole).
What is the SMILES notation for 3-(2,9-dihydrofluoren-2-id-1-yl)-1-(1,1,1,2-tetradeuteriopropan-2-yl)-2,3-dihydropyrrol-2-ide;3-(2,9-dihydrofluoren-2-id-1-yl)-1-(2,2,2-trideuterioethyl)-2,3-dihydropyrrol-2-ide;bis(iridium(3+));bis(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole)?
The canonical SMILES for 3-(2,9-dihydrofluoren-2-id-1-yl)-1-(1,1,1,2-tetradeuteriopropan-2-yl)-2,3-dihydropyrrol-2-ide;3-(2,9-dihydrofluoren-2-id-1-yl)-1-(2,2,2-trideuterioethyl)-2,3-dihydropyrrol-2-ide;bis(iridium(3+));bis(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole) is 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.[2H]C([2H])([2H])C([2H])(C)N1C=CC(c2[c-]ccc3c2Cc2ccccc2-3)[CH-]1.[2H]C([2H])([2H])CN1C=CC(c2[c-]ccc3c2Cc2ccccc2-3)[CH-]1.[Ir+3].[Ir+3].
What is the InChIKey of 3-(2,9-dihydrofluoren-2-id-1-yl)-1-(1,1,1,2-tetradeuteriopropan-2-yl)-2,3-dihydropyrrol-2-ide;3-(2,9-dihydrofluoren-2-id-1-yl)-1-(2,2,2-trideuterioethyl)-2,3-dihydropyrrol-2-ide;bis(iridium(3+));bis(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole)?
The InChIKey is SGXHUHOBGPBUHU-YYUVBABFSA-N. The full InChI is InChI=1S/2C27H27N2.C20H19N.C19H17N.2Ir/c2*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;1-14(2)21-11-10-16(13-21)18-8-5-9-19-17-7-4-3-6-15(17)12-20(18)19;1-2-20-11-10-15(13-20)17-8-5-9-18-16-7-4-3-6-14(16)12-19(17)18;;/h2*5-13,15-20H,1-4H3;3-7,9-11,13-14,16H,12H2,1-2H3;3-7,9-11,13,15H,2,12H2,1H3;;/q2*-1;2*-2;2*+3/i;;1D3,14D;1D3;;.
What are the key properties of 3-(2,9-dihydrofluoren-2-id-1-yl)-1-(1,1,1,2-tetradeuteriopropan-2-yl)-2,3-dihydropyrrol-2-ide;3-(2,9-dihydrofluoren-2-id-1-yl)-1-(2,2,2-trideuterioethyl)-2,3-dihydropyrrol-2-ide;bis(iridium(3+));bis(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole)?
3-(2,9-dihydrofluoren-2-id-1-yl)-1-(1,1,1,2-tetradeuteriopropan-2-yl)-2,3-dihydropyrrol-2-ide;3-(2,9-dihydrofluoren-2-id-1-yl)-1-(2,2,2-trideuterioethyl)-2,3-dihydropyrrol-2-ide;bis(iridium(3+));bis(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole) has a molecular weight of 1683.26 g/mol, XLogP of 23.20, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,9-dihydrofluoren-2-id-1-yl)-1-(1,1,1,2-tetradeuteriopropan-2-yl)-2,3-dihydropyrrol-2-ide;3-(2,9-dihydrofluoren-2-id-1-yl)-1-(2,2,2-trideuterioethyl)-2,3-dihydropyrrol-2-ide;bis(iridium(3+));bis(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole) is sourced from PubChem (CID 159407769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).