bis(iridium);methanol;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-(7-phenyldibenzofuran-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trifluoromethanesulfonic acid;bis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane)

C125H128F3Ir2N6O7SSi2-3 — CID 162087476

About bis(iridium);methanol;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-(7-phenyldibenzofuran-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trifluoromethanesulfonic acid;bis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane)

bis(iridium);methanol;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-(7-phenyldibenzofuran-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trifluoromethanesulfonic acid;bis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane) (PubChem CID 162087476) has the molecular formula C125H128F3Ir2N6O7SSi2-3 and a molecular weight of 2356.10 g/mol. Its IUPAC name is bis(iridium);methanol;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-(7-phenyldibenzofuran-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trifluoromethanesulfonic acid;bis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane).

Molecular Properties

• Compound Name: bis(iridium);methanol;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-(7-phenyldibenzofuran-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trifluoromethanesulfonic acid;bis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane)
• PubChem CID: 162087476
• Molecular Formula: C125H128F3Ir2N6O7SSi2-3
• Molecular Weight: 2356.10 g/mol
• Exact Mass: 2355.83
• IUPAC Name: bis(iridium);methanol;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-(7-phenyldibenzofuran-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trifluoromethanesulfonic acid;bis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane)
• SMILES: CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2cc(-c4ccccc4)ccc23)nc2ccccc21.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2cccc3c2oc2cc(-c4ccccc4)ccc23)nc2ccccc21.CO.CO.O=S(=O)(O)C(F)(F)F.[Ir].[Ir]
• InChI: InChI=1S/C43H36N2O.C43H35N2O.2C18H24NSi.CHF3O3S.2CH4O.2Ir/c2*1-27(2)36-24-32(30-16-9-6-10-17-30)25-37(28(3)4)41(36)45-39-21-12-11-20-38(39)44-43(45)35-19-13-18-34-33-23-22-31(26-40(33)46-42(34)35)29-14-7-5-8-15-29;2*1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;2-1(3,4)8(5,6)7;2*1-2;;/h5-28H,1-4H3;5-18,20-28H,1-4H3;2*6-9,12-14H,11H2,1-5H3;(H,5,6,7);2*2H,1H3;;/q;3*-1
• InChIKey: ONGQPBHQJXKWLD-UHFFFAOYSA-N
• XLogP: 32.34
• TPSA: 182.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 20
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2356.10
LogP ≤ 5	32.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(iridium);methanol;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-(7-phenyldibenzofuran-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trifluoromethanesulfonic acid;bis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane)?

The IUPAC name of bis(iridium);methanol;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-(7-phenyldibenzofuran-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trifluoromethanesulfonic acid;bis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane) (CID 162087476) is bis(iridium);methanol;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-(7-phenyldibenzofuran-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trifluoromethanesulfonic acid;bis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane).

What is the SMILES notation for bis(iridium);methanol;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-(7-phenyldibenzofuran-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trifluoromethanesulfonic acid;bis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane)?

The canonical SMILES for bis(iridium);methanol;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-(7-phenyldibenzofuran-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trifluoromethanesulfonic acid;bis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane) is CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2cc(-c4ccccc4)ccc23)nc2ccccc21.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2cccc3c2oc2cc(-c4ccccc4)ccc23)nc2ccccc21.CO.CO.O=S(=O)(O)C(F)(F)F.[Ir].[Ir].

What is the InChIKey of bis(iridium);methanol;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-(7-phenyldibenzofuran-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trifluoromethanesulfonic acid;bis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane)?

The InChIKey is ONGQPBHQJXKWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H36N2O.C43H35N2O.2C18H24NSi.CHF3O3S.2CH4O.2Ir/c2*1-27(2)36-24-32(30-16-9-6-10-17-30)25-37(28(3)4)41(36)45-39-21-12-11-20-38(39)44-43(45)35-19-13-18-34-33-23-22-31(26-40(33)46-42(34)35)29-14-7-5-8-15-29;2*1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;2-1(3,4)8(5,6)7;2*1-2;;/h5-28H,1-4H3;5-18,20-28H,1-4H3;2*6-9,12-14H,11H2,1-5H3;(H,5,6,7);2*2H,1H3;;/q;3*-1;;;;;.

What are the key properties of bis(iridium);methanol;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-(7-phenyldibenzofuran-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trifluoromethanesulfonic acid;bis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane)?

bis(iridium);methanol;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-(7-phenyldibenzofuran-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trifluoromethanesulfonic acid;bis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane) has a molecular weight of 2356.10 g/mol, XLogP of 32.34, 20 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for bis(iridium);methanol;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-(7-phenyldibenzofuran-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trifluoromethanesulfonic acid;bis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane) is sourced from PubChem (CID 162087476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).