4-[3-(4-tert-butylphenyl)benzo[e]benzimidazol-2-yl]-10-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;8-[1-(4-tert-butylphenyl)naphtho[2,1-e]benzimidazol-2-yl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;4-[3-[2,6-di(propan-2-yl)phenyl]benzo[f]benzimidazol-2-yl]-9-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;tris(iridium);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane

C168H154F2Ir3N12O3Si3-6 — CID 158091825

About 4-[3-(4-tert-butylphenyl)benzo[e]benzimidazol-2-yl]-10-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;8-[1-(4-tert-butylphenyl)naphtho[2,1-e]benzimidazol-2-yl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;4-[3-[2,6-di(propan-2-yl)phenyl]benzo[f]benzimidazol-2-yl]-9-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;tris(iridium);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane

4-[3-(4-tert-butylphenyl)benzo[e]benzimidazol-2-yl]-10-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;8-[1-(4-tert-butylphenyl)naphtho[2,1-e]benzimidazol-2-yl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;4-[3-[2,6-di(propan-2-yl)phenyl]benzo[f]benzimidazol-2-yl]-9-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;tris(iridium);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (PubChem CID 158091825) has the molecular formula C168H154F2Ir3N12O3Si3-6 and a molecular weight of 3091.08 g/mol. Its IUPAC name is 4-[3-(4-tert-butylphenyl)benzo[e]benzimidazol-2-yl]-10-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;8-[1-(4-tert-butylphenyl)naphtho[2,1-e]benzimidazol-2-yl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;4-[3-[2,6-di(propan-2-yl)phenyl]benzo[f]benzimidazol-2-yl]-9-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;tris(iridium);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane.

Molecular Properties

• Compound Name: 4-[3-(4-tert-butylphenyl)benzo[e]benzimidazol-2-yl]-10-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;8-[1-(4-tert-butylphenyl)naphtho[2,1-e]benzimidazol-2-yl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;4-[3-[2,6-di(propan-2-yl)phenyl]benzo[f]benzimidazol-2-yl]-9-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;tris(iridium);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
• PubChem CID: 158091825
• Molecular Formula: C168H154F2Ir3N12O3Si3-6
• Molecular Weight: 3091.08 g/mol
• Exact Mass: 3091.07
• IUPAC Name: 4-[3-(4-tert-butylphenyl)benzo[e]benzimidazol-2-yl]-10-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;8-[1-(4-tert-butylphenyl)naphtho[2,1-e]benzimidazol-2-yl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;4-[3-[2,6-di(propan-2-yl)phenyl]benzo[f]benzimidazol-2-yl]-9-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;tris(iridium);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
• SMILES: CC(C)(C)c1ccc(-n2c(-c3[c-]ccc4c3oc3nc5cccc(F)c5cc34)nc3c4ccccc4ccc32)cc1.CC(C)(C)c1ccc(-n2c(-c3[c-]ccc4c3oc3ncc5ccccc5c34)nc3c4ccc5ccccc5c4ccc32)cc1.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2nc4ccc(F)cc4cc23)nc2cc3ccccc3cc21.[2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C(C)(C)C.[Ir].[Ir].[Ir]
• InChI: InChI=1S/C40H28N3O.C38H29FN3O.C36H25FN3O.C19H26NSi.C18H24NSi.C17H22NSi.3Ir/c1-40(2,3)26-16-18-27(19-17-26)43-34-22-21-30-28-11-6-4-9-24(28)15-20-31(30)36(34)42-38(43)33-14-8-13-32-35-29-12-7-5-10-25(29)23-41-39(35)44-37(32)33;1-21(2)27-11-7-12-28(22(3)4)35(27)42-34-20-24-10-6-5-9-23(24)19-33(34)40-37(42)30-14-8-13-29-31-18-25-17-26(39)15-16-32(25)41-38(31)43-36(29)30;1-36(2,3)22-15-17-23(18-16-22)40-31-19-14-21-8-4-5-9-24(21)32(31)39-34(40)26-11-6-10-25-27-20-28-29(37)12-7-13-30(28)38-35(27)41-33(25)26;1-19(2,3)13-16-12-17(15-10-8-7-9-11-15)20-14-18(16)21(4,5)6;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;1-13(2)15-11-16(14-9-7-6-8-10-14)18-12-17(15)19(3,4)5;;;/h4-13,15-23H,1-3H3;5-13,15-22H,1-4H3;4-10,12-20H,1-3H3;7-10,12,14H,13H2,1-6H3;6-9,12-14H,11H2,1-5H3;6-9,11-13H,1-5H3;;;/q6*-1;;;/i;;;13D2;;13D
• InChIKey: ZGAWDLUINRAWIY-LKUNDXGRSA-N
• XLogP: 43.74
• TPSA: 170.22 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 18
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3091.08
LogP ≤ 5	43.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-tert-butylphenyl)benzo[e]benzimidazol-2-yl]-10-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;8-[1-(4-tert-butylphenyl)naphtho[2,1-e]benzimidazol-2-yl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;4-[3-[2,6-di(propan-2-yl)phenyl]benzo[f]benzimidazol-2-yl]-9-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;tris(iridium);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

The IUPAC name of 4-[3-(4-tert-butylphenyl)benzo[e]benzimidazol-2-yl]-10-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;8-[1-(4-tert-butylphenyl)naphtho[2,1-e]benzimidazol-2-yl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;4-[3-[2,6-di(propan-2-yl)phenyl]benzo[f]benzimidazol-2-yl]-9-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;tris(iridium);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (CID 158091825) is 4-[3-(4-tert-butylphenyl)benzo[e]benzimidazol-2-yl]-10-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;8-[1-(4-tert-butylphenyl)naphtho[2,1-e]benzimidazol-2-yl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;4-[3-[2,6-di(propan-2-yl)phenyl]benzo[f]benzimidazol-2-yl]-9-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;tris(iridium);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane.

What is the SMILES notation for 4-[3-(4-tert-butylphenyl)benzo[e]benzimidazol-2-yl]-10-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;8-[1-(4-tert-butylphenyl)naphtho[2,1-e]benzimidazol-2-yl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;4-[3-[2,6-di(propan-2-yl)phenyl]benzo[f]benzimidazol-2-yl]-9-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;tris(iridium);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

The canonical SMILES for 4-[3-(4-tert-butylphenyl)benzo[e]benzimidazol-2-yl]-10-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;8-[1-(4-tert-butylphenyl)naphtho[2,1-e]benzimidazol-2-yl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;4-[3-[2,6-di(propan-2-yl)phenyl]benzo[f]benzimidazol-2-yl]-9-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;tris(iridium);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane is CC(C)(C)c1ccc(-n2c(-c3[c-]ccc4c3oc3nc5cccc(F)c5cc34)nc3c4ccccc4ccc32)cc1.CC(C)(C)c1ccc(-n2c(-c3[c-]ccc4c3oc3ncc5ccccc5c34)nc3c4ccc5ccccc5c4ccc32)cc1.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2nc4ccc(F)cc4cc23)nc2cc3ccccc3cc21.[2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C(C)(C)C.[Ir].[Ir].[Ir].

What is the InChIKey of 4-[3-(4-tert-butylphenyl)benzo[e]benzimidazol-2-yl]-10-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;8-[1-(4-tert-butylphenyl)naphtho[2,1-e]benzimidazol-2-yl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;4-[3-[2,6-di(propan-2-yl)phenyl]benzo[f]benzimidazol-2-yl]-9-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;tris(iridium);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

The InChIKey is ZGAWDLUINRAWIY-LKUNDXGRSA-N. The full InChI is InChI=1S/C40H28N3O.C38H29FN3O.C36H25FN3O.C19H26NSi.C18H24NSi.C17H22NSi.3Ir/c1-40(2,3)26-16-18-27(19-17-26)43-34-22-21-30-28-11-6-4-9-24(28)15-20-31(30)36(34)42-38(43)33-14-8-13-32-35-29-12-7-5-10-25(29)23-41-39(35)44-37(32)33;1-21(2)27-11-7-12-28(22(3)4)35(27)42-34-20-24-10-6-5-9-23(24)19-33(34)40-37(42)30-14-8-13-29-31-18-25-17-26(39)15-16-32(25)41-38(31)43-36(29)30;1-36(2,3)22-15-17-23(18-16-22)40-31-19-14-21-8-4-5-9-24(21)32(31)39-34(40)26-11-6-10-25-27-20-28-29(37)12-7-13-30(28)38-35(27)41-33(25)26;1-19(2,3)13-16-12-17(15-10-8-7-9-11-15)20-14-18(16)21(4,5)6;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;1-13(2)15-11-16(14-9-7-6-8-10-14)18-12-17(15)19(3,4)5;;;/h4-13,15-23H,1-3H3;5-13,15-22H,1-4H3;4-10,12-20H,1-3H3;7-10,12,14H,13H2,1-6H3;6-9,12-14H,11H2,1-5H3;6-9,11-13H,1-5H3;;;/q6*-1;;;/i;;;13D2;;13D;;;.

What are the key properties of 4-[3-(4-tert-butylphenyl)benzo[e]benzimidazol-2-yl]-10-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;8-[1-(4-tert-butylphenyl)naphtho[2,1-e]benzimidazol-2-yl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;4-[3-[2,6-di(propan-2-yl)phenyl]benzo[f]benzimidazol-2-yl]-9-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;tris(iridium);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

4-[3-(4-tert-butylphenyl)benzo[e]benzimidazol-2-yl]-10-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;8-[1-(4-tert-butylphenyl)naphtho[2,1-e]benzimidazol-2-yl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;4-[3-[2,6-di(propan-2-yl)phenyl]benzo[f]benzimidazol-2-yl]-9-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;tris(iridium);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane has a molecular weight of 3091.08 g/mol, XLogP of 43.74, 18 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(4-tert-butylphenyl)benzo[e]benzimidazol-2-yl]-10-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;8-[1-(4-tert-butylphenyl)naphtho[2,1-e]benzimidazol-2-yl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;4-[3-[2,6-di(propan-2-yl)phenyl]benzo[f]benzimidazol-2-yl]-9-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;tris(iridium);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane is sourced from PubChem (CID 158091825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).