8-(1-benzylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);8-(1-phenylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane)

C183H170F12Ge4Ir4N16O4-8 — CID 160749441

IUPAC8-(1-benzylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);8-(1-phenylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane)
SMILESCC(C)(C)c1ccc(-n2c(-c3[c-]ccc4c3oc3nc(C(F)(F)F)ccc34)nc3ccccc32)cc1.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2nc(C(F)(F)F)ccc23)nc2ccccc21.FC(F)(F)c1ccc2c(n1)oc1c(-c3nc4ccccc4n3-c3ccccc3)[c-]ccc12.FC(F)(F)c1ccc2c(n1)oc1c(-c3nc4ccccc4n3Cc3ccccc3)[c-]ccc12.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C31H25F3N3O.C29H21F3N3O.C26H15F3N3O.C25H13F3N3O.4C18H24GeN.4Ir/c1-17(2)19-9-7-10-20(18(3)4)27(19)37-25-14-6-5-13-24(25)35-29(37)23-12-8-11-21-22-15-16-26(31(32,33)34)36-30(22)38-28(21)23;1-28(2,3)17-11-13-18(14-12-17)35-23-10-5-4-9-22(23)33-26(35)21-8-6-7-19-20-15-16-24(29(30,31)32)34-27(20)36-25(19)21;27-26(28,29)22-14-13-18-17-9-6-10-19(23(17)33-25(18)31-22)24-30-20-11-4-5-12-21(20)32(24)15-16-7-2-1-3-8-16;26-25(27,28)21-14-13-17-16-9-6-10-18(22(16)32-24(17)30-21)23-29-19-11-4-5-12-20(19)31(23)15-7-2-1-3-8-15;4*1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;;;;/h5-11,13-18H,1-4H3;4-7,9-16H,1-3H3;1-9,11-14H,15H2;1-9,11-14H;4*6-9,12-14H,11H2,1-5H3;;;;/q8*-1;;;;
InChIKeyDALKBIVHQSFVKH-UHFFFAOYSA-N
MW3944.76 g/mol
LogP47.99
Rot. Bonds27

About 8-(1-benzylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);8-(1-phenylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane)

8-(1-benzylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);8-(1-phenylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane) (PubChem CID 160749441) has the molecular formula C183H170F12Ge4Ir4N16O4-8 and a molecular weight of 3944.76 g/mol. Its IUPAC name is 8-(1-benzylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);8-(1-phenylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane).

Molecular Properties

Compound Name8-(1-benzylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);8-(1-phenylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane)
PubChem CID160749441
Molecular FormulaC183H170F12Ge4Ir4N16O4-8
Molecular Weight3944.76 g/mol
Exact Mass3950.88
IUPAC Name8-(1-benzylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);8-(1-phenylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane)
SMILESCC(C)(C)c1ccc(-n2c(-c3[c-]ccc4c3oc3nc(C(F)(F)F)ccc34)nc3ccccc32)cc1.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2nc(C(F)(F)F)ccc23)nc2ccccc21.FC(F)(F)c1ccc2c(n1)oc1c(-c3nc4ccccc4n3-c3ccccc3)[c-]ccc12.FC(F)(F)c1ccc2c(n1)oc1c(-c3nc4ccccc4n3Cc3ccccc3)[c-]ccc12.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C31H25F3N3O.C29H21F3N3O.C26H15F3N3O.C25H13F3N3O.4C18H24GeN.4Ir/c1-17(2)19-9-7-10-20(18(3)4)27(19)37-25-14-6-5-13-24(25)35-29(37)23-12-8-11-21-22-15-16-26(31(32,33)34)36-30(22)38-28(21)23;1-28(2,3)17-11-13-18(14-12-17)35-23-10-5-4-9-22(23)33-26(35)21-8-6-7-19-20-15-16-24(29(30,31)32)34-27(20)36-25(19)21;27-26(28,29)22-14-13-18-17-9-6-10-19(23(17)33-25(18)31-22)24-30-20-11-4-5-12-21(20)32(24)15-16-7-2-1-3-8-16;26-25(27,28)21-14-13-17-16-9-6-10-18(22(16)32-24(17)30-21)23-29-19-11-4-5-12-20(19)31(23)15-7-2-1-3-8-15;4*1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;;;;/h5-11,13-18H,1-4H3;4-7,9-16H,1-3H3;1-9,11-14H,15H2;1-9,11-14H;4*6-9,12-14H,11H2,1-5H3;;;;/q8*-1;;;;
InChIKeyDALKBIVHQSFVKH-UHFFFAOYSA-N
XLogP47.99
TPSA226.96 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds27
Heavy Atoms223
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003944.76
LogP ≤ 547.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 8-(1-benzylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);8-(1-phenylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(1-benzylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);8-(1-phenylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane)?
The IUPAC name of 8-(1-benzylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);8-(1-phenylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane) (CID 160749441) is 8-(1-benzylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);8-(1-phenylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane).
What is the SMILES notation for 8-(1-benzylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);8-(1-phenylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane)?
The canonical SMILES for 8-(1-benzylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);8-(1-phenylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane) is CC(C)(C)c1ccc(-n2c(-c3[c-]ccc4c3oc3nc(C(F)(F)F)ccc34)nc3ccccc32)cc1.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2nc(C(F)(F)F)ccc23)nc2ccccc21.FC(F)(F)c1ccc2c(n1)oc1c(-c3nc4ccccc4n3-c3ccccc3)[c-]ccc12.FC(F)(F)c1ccc2c(n1)oc1c(-c3nc4ccccc4n3Cc3ccccc3)[c-]ccc12.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 8-(1-benzylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);8-(1-phenylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane)?
The InChIKey is DALKBIVHQSFVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25F3N3O.C29H21F3N3O.C26H15F3N3O.C25H13F3N3O.4C18H24GeN.4Ir/c1-17(2)19-9-7-10-20(18(3)4)27(19)37-25-14-6-5-13-24(25)35-29(37)23-12-8-11-21-22-15-16-26(31(32,33)34)36-30(22)38-28(21)23;1-28(2,3)17-11-13-18(14-12-17)35-23-10-5-4-9-22(23)33-26(35)21-8-6-7-19-20-15-16-24(29(30,31)32)34-27(20)36-25(19)21;27-26(28,29)22-14-13-18-17-9-6-10-19(23(17)33-25(18)31-22)24-30-20-11-4-5-12-21(20)32(24)15-16-7-2-1-3-8-16;26-25(27,28)21-14-13-17-16-9-6-10-18(22(16)32-24(17)30-21)23-29-19-11-4-5-12-20(19)31(23)15-7-2-1-3-8-15;4*1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;;;;/h5-11,13-18H,1-4H3;4-7,9-16H,1-3H3;1-9,11-14H,15H2;1-9,11-14H;4*6-9,12-14H,11H2,1-5H3;;;;/q8*-1;;;;.
What are the key properties of 8-(1-benzylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);8-(1-phenylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane)?
8-(1-benzylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);8-(1-phenylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane) has a molecular weight of 3944.76 g/mol, XLogP of 47.99, 27 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-benzylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);8-(1-phenylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane) is sourced from PubChem (CID 160749441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).