2-(3H-dibenzofuran-3-id-4-yl)-1-[4-(4-fluorophenyl)-2,6-dimethylphenyl]benzimidazole;2-(7-fluoro-8-phenyl-3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;1-(4-fluoro-3-phenylphenyl)-2-[1-fluoro-7-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;tetrakis(iridium);1-(2-phenylphenyl)-2-[7-(trifluoromethyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;tetrakis(trimethyl-(6-phenyl-3-pyridinyl)silane)

C202H155F7Ir4N12O4Si4-8 — CID 160659783

IUPAC2-(3H-dibenzofuran-3-id-4-yl)-1-[4-(4-fluorophenyl)-2,6-dimethylphenyl]benzimidazole;2-(7-fluoro-8-phenyl-3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;1-(4-fluoro-3-phenylphenyl)-2-[1-fluoro-7-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;tetrakis(iridium);1-(2-phenylphenyl)-2-[7-(trifluoromethyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;tetrakis(trimethyl-(6-phenyl-3-pyridinyl)silane)
SMILESCC(C)(c1ccccc1)c1ccc2c(c1)oc1c(-c3nc4ccccc4n3-c3ccc(F)c(-c4ccccc4)c3)[c-]cc(F)c12.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1cc(-c2ccc(F)cc2)cc(C)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.FC(F)(F)c1c[c-]c(-c2nc3ccccc3n2-c2ccccc2-c2ccccc2)c2oc3c4ccccc4ccc3c12.Fc1cc2oc3c(-c4nc5ccccc5n4-c4ccc(-c5ccccc5)cc4)[c-]ccc3c2cc1-c1ccccc1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C40H27F2N2O.C37H22FN2O.C36H20F3N2O.C33H22FN2O.4C14H16NSi.4Ir/c1-40(2,26-13-7-4-8-14-26)27-17-19-29-36(23-27)45-38-30(20-22-33(42)37(29)38)39-43-34-15-9-10-16-35(34)44(39)28-18-21-32(41)31(24-28)25-11-5-3-6-12-25;38-32-23-35-31(22-30(32)26-12-5-2-6-13-26)28-14-9-15-29(36(28)41-35)37-39-33-16-7-8-17-34(33)40(37)27-20-18-25(19-21-27)24-10-3-1-4-11-24;37-36(38,39)28-21-20-27(34-32(28)26-19-18-23-12-4-5-14-25(23)33(26)42-34)35-40-29-15-7-9-17-31(29)41(35)30-16-8-6-13-24(30)22-10-2-1-3-11-22;1-20-18-23(22-14-16-24(34)17-15-22)19-21(2)31(20)36-29-12-5-4-11-28(29)35-33(36)27-10-7-9-26-25-8-3-6-13-30(25)37-32(26)27;4*1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;;;;/h3-19,21-24H,1-2H3;1-14,16-23H;1-19,21H;3-9,11-19H,1-2H3;4*4-7,9-11H,1-3H3;;;;/q8*-1;;;;
InChIKeyGRBJTHFFUACMCH-UHFFFAOYSA-N
MW3828.74 g/mol
LogP51.94
Rot. Bonds23

About 2-(3H-dibenzofuran-3-id-4-yl)-1-[4-(4-fluorophenyl)-2,6-dimethylphenyl]benzimidazole;2-(7-fluoro-8-phenyl-3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;1-(4-fluoro-3-phenylphenyl)-2-[1-fluoro-7-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;tetrakis(iridium);1-(2-phenylphenyl)-2-[7-(trifluoromethyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;tetrakis(trimethyl-(6-phenyl-3-pyridinyl)silane)

2-(3H-dibenzofuran-3-id-4-yl)-1-[4-(4-fluorophenyl)-2,6-dimethylphenyl]benzimidazole;2-(7-fluoro-8-phenyl-3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;1-(4-fluoro-3-phenylphenyl)-2-[1-fluoro-7-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;tetrakis(iridium);1-(2-phenylphenyl)-2-[7-(trifluoromethyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;tetrakis(trimethyl-(6-phenyl-3-pyridinyl)silane) (PubChem CID 160659783) has the molecular formula C202H155F7Ir4N12O4Si4-8 and a molecular weight of 3828.74 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-1-[4-(4-fluorophenyl)-2,6-dimethylphenyl]benzimidazole;2-(7-fluoro-8-phenyl-3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;1-(4-fluoro-3-phenylphenyl)-2-[1-fluoro-7-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;tetrakis(iridium);1-(2-phenylphenyl)-2-[7-(trifluoromethyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;tetrakis(trimethyl-(6-phenyl-3-pyridinyl)silane).

Molecular Properties

Compound Name2-(3H-dibenzofuran-3-id-4-yl)-1-[4-(4-fluorophenyl)-2,6-dimethylphenyl]benzimidazole;2-(7-fluoro-8-phenyl-3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;1-(4-fluoro-3-phenylphenyl)-2-[1-fluoro-7-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;tetrakis(iridium);1-(2-phenylphenyl)-2-[7-(trifluoromethyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;tetrakis(trimethyl-(6-phenyl-3-pyridinyl)silane)
PubChem CID160659783
Molecular FormulaC202H155F7Ir4N12O4Si4-8
Molecular Weight3828.74 g/mol
Exact Mass3828.98
IUPAC Name2-(3H-dibenzofuran-3-id-4-yl)-1-[4-(4-fluorophenyl)-2,6-dimethylphenyl]benzimidazole;2-(7-fluoro-8-phenyl-3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;1-(4-fluoro-3-phenylphenyl)-2-[1-fluoro-7-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;tetrakis(iridium);1-(2-phenylphenyl)-2-[7-(trifluoromethyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;tetrakis(trimethyl-(6-phenyl-3-pyridinyl)silane)
SMILESCC(C)(c1ccccc1)c1ccc2c(c1)oc1c(-c3nc4ccccc4n3-c3ccc(F)c(-c4ccccc4)c3)[c-]cc(F)c12.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1cc(-c2ccc(F)cc2)cc(C)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.FC(F)(F)c1c[c-]c(-c2nc3ccccc3n2-c2ccccc2-c2ccccc2)c2oc3c4ccccc4ccc3c12.Fc1cc2oc3c(-c4nc5ccccc5n4-c4ccc(-c5ccccc5)cc4)[c-]ccc3c2cc1-c1ccccc1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C40H27F2N2O.C37H22FN2O.C36H20F3N2O.C33H22FN2O.4C14H16NSi.4Ir/c1-40(2,26-13-7-4-8-14-26)27-17-19-29-36(23-27)45-38-30(20-22-33(42)37(29)38)39-43-34-15-9-10-16-35(34)44(39)28-18-21-32(41)31(24-28)25-11-5-3-6-12-25;38-32-23-35-31(22-30(32)26-12-5-2-6-13-26)28-14-9-15-29(36(28)41-35)37-39-33-16-7-8-17-34(33)40(37)27-20-18-25(19-21-27)24-10-3-1-4-11-24;37-36(38,39)28-21-20-27(34-32(28)26-19-18-23-12-4-5-14-25(23)33(26)42-34)35-40-29-15-7-9-17-31(29)41(35)30-16-8-6-13-24(30)22-10-2-1-3-11-22;1-20-18-23(22-14-16-24(34)17-15-22)19-21(2)31(20)36-29-12-5-4-11-28(29)35-33(36)27-10-7-9-26-25-8-3-6-13-30(25)37-32(26)27;4*1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;;;;/h3-19,21-24H,1-2H3;1-14,16-23H;1-19,21H;3-9,11-19H,1-2H3;4*4-7,9-11H,1-3H3;;;;/q8*-1;;;;
InChIKeyGRBJTHFFUACMCH-UHFFFAOYSA-N
XLogP51.94
TPSA175.40 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds23
Heavy Atoms233
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003828.74
LogP ≤ 551.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 2-(3H-dibenzofuran-3-id-4-yl)-1-[4-(4-fluorophenyl)-2,6-dimethylphenyl]benzimidazole;2-(7-fluoro-8-phenyl-3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;1-(4-fluoro-3-phenylphenyl)-2-[1-fluoro-7-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;tetrakis(iridium);1-(2-phenylphenyl)-2-[7-(trifluoromethyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;tetrakis(trimethyl-(6-phenyl-3-pyridinyl)silane) with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-1-[4-(4-fluorophenyl)-2,6-dimethylphenyl]benzimidazole;2-(7-fluoro-8-phenyl-3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;1-(4-fluoro-3-phenylphenyl)-2-[1-fluoro-7-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;tetrakis(iridium);1-(2-phenylphenyl)-2-[7-(trifluoromethyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;tetrakis(trimethyl-(6-phenyl-3-pyridinyl)silane)?
The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-1-[4-(4-fluorophenyl)-2,6-dimethylphenyl]benzimidazole;2-(7-fluoro-8-phenyl-3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;1-(4-fluoro-3-phenylphenyl)-2-[1-fluoro-7-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;tetrakis(iridium);1-(2-phenylphenyl)-2-[7-(trifluoromethyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;tetrakis(trimethyl-(6-phenyl-3-pyridinyl)silane) (CID 160659783) is 2-(3H-dibenzofuran-3-id-4-yl)-1-[4-(4-fluorophenyl)-2,6-dimethylphenyl]benzimidazole;2-(7-fluoro-8-phenyl-3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;1-(4-fluoro-3-phenylphenyl)-2-[1-fluoro-7-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;tetrakis(iridium);1-(2-phenylphenyl)-2-[7-(trifluoromethyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;tetrakis(trimethyl-(6-phenyl-3-pyridinyl)silane).
What is the SMILES notation for 2-(3H-dibenzofuran-3-id-4-yl)-1-[4-(4-fluorophenyl)-2,6-dimethylphenyl]benzimidazole;2-(7-fluoro-8-phenyl-3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;1-(4-fluoro-3-phenylphenyl)-2-[1-fluoro-7-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;tetrakis(iridium);1-(2-phenylphenyl)-2-[7-(trifluoromethyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;tetrakis(trimethyl-(6-phenyl-3-pyridinyl)silane)?
The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)-1-[4-(4-fluorophenyl)-2,6-dimethylphenyl]benzimidazole;2-(7-fluoro-8-phenyl-3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;1-(4-fluoro-3-phenylphenyl)-2-[1-fluoro-7-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;tetrakis(iridium);1-(2-phenylphenyl)-2-[7-(trifluoromethyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;tetrakis(trimethyl-(6-phenyl-3-pyridinyl)silane) is CC(C)(c1ccccc1)c1ccc2c(c1)oc1c(-c3nc4ccccc4n3-c3ccc(F)c(-c4ccccc4)c3)[c-]cc(F)c12.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1cc(-c2ccc(F)cc2)cc(C)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.FC(F)(F)c1c[c-]c(-c2nc3ccccc3n2-c2ccccc2-c2ccccc2)c2oc3c4ccccc4ccc3c12.Fc1cc2oc3c(-c4nc5ccccc5n4-c4ccc(-c5ccccc5)cc4)[c-]ccc3c2cc1-c1ccccc1.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 2-(3H-dibenzofuran-3-id-4-yl)-1-[4-(4-fluorophenyl)-2,6-dimethylphenyl]benzimidazole;2-(7-fluoro-8-phenyl-3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;1-(4-fluoro-3-phenylphenyl)-2-[1-fluoro-7-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;tetrakis(iridium);1-(2-phenylphenyl)-2-[7-(trifluoromethyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;tetrakis(trimethyl-(6-phenyl-3-pyridinyl)silane)?
The InChIKey is GRBJTHFFUACMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27F2N2O.C37H22FN2O.C36H20F3N2O.C33H22FN2O.4C14H16NSi.4Ir/c1-40(2,26-13-7-4-8-14-26)27-17-19-29-36(23-27)45-38-30(20-22-33(42)37(29)38)39-43-34-15-9-10-16-35(34)44(39)28-18-21-32(41)31(24-28)25-11-5-3-6-12-25;38-32-23-35-31(22-30(32)26-12-5-2-6-13-26)28-14-9-15-29(36(28)41-35)37-39-33-16-7-8-17-34(33)40(37)27-20-18-25(19-21-27)24-10-3-1-4-11-24;37-36(38,39)28-21-20-27(34-32(28)26-19-18-23-12-4-5-14-25(23)33(26)42-34)35-40-29-15-7-9-17-31(29)41(35)30-16-8-6-13-24(30)22-10-2-1-3-11-22;1-20-18-23(22-14-16-24(34)17-15-22)19-21(2)31(20)36-29-12-5-4-11-28(29)35-33(36)27-10-7-9-26-25-8-3-6-13-30(25)37-32(26)27;4*1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;;;;/h3-19,21-24H,1-2H3;1-14,16-23H;1-19,21H;3-9,11-19H,1-2H3;4*4-7,9-11H,1-3H3;;;;/q8*-1;;;;.
What are the key properties of 2-(3H-dibenzofuran-3-id-4-yl)-1-[4-(4-fluorophenyl)-2,6-dimethylphenyl]benzimidazole;2-(7-fluoro-8-phenyl-3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;1-(4-fluoro-3-phenylphenyl)-2-[1-fluoro-7-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;tetrakis(iridium);1-(2-phenylphenyl)-2-[7-(trifluoromethyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;tetrakis(trimethyl-(6-phenyl-3-pyridinyl)silane)?
2-(3H-dibenzofuran-3-id-4-yl)-1-[4-(4-fluorophenyl)-2,6-dimethylphenyl]benzimidazole;2-(7-fluoro-8-phenyl-3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;1-(4-fluoro-3-phenylphenyl)-2-[1-fluoro-7-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;tetrakis(iridium);1-(2-phenylphenyl)-2-[7-(trifluoromethyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;tetrakis(trimethyl-(6-phenyl-3-pyridinyl)silane) has a molecular weight of 3828.74 g/mol, XLogP of 51.94, 23 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-dibenzofuran-3-id-4-yl)-1-[4-(4-fluorophenyl)-2,6-dimethylphenyl]benzimidazole;2-(7-fluoro-8-phenyl-3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;1-(4-fluoro-3-phenylphenyl)-2-[1-fluoro-7-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;tetrakis(iridium);1-(2-phenylphenyl)-2-[7-(trifluoromethyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;tetrakis(trimethyl-(6-phenyl-3-pyridinyl)silane) is sourced from PubChem (CID 160659783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).