pentakis(2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole);[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;[5-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;[5-(1,1-dideuterio-2-methylpropyl)-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;pentakis(iridium);trimethyl-(5-methyl-6-phenyl-3-pyridinyl)germane;trimethyl-[6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]germane

C242H249Ge5Ir5N15O5-10 — CID 160853804

IUPACpentakis(2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole);[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;[5-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;[5-(1,1-dideuterio-2-methylpropyl)-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;pentakis(iridium);trimethyl-(5-methyl-6-phenyl-3-pyridinyl)germane;trimethyl-[6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]germane
SMILESCC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.Cc1cc([Ge](C)(C)C)cnc1-c1[c-]cccc1.[2H]C([2H])([2H])c1nc(-c2[c-]cccc2)c(C([2H])([2H])C(C)C)cc1[Ge](C)(C)C.[2H]C([2H])([2H])c1nc(-c2[c-]cccc2)cc(C([2H])([2H])C(C)(C)C)c1[Ge](C)(C)C.[2H]C([2H])([2H])c1nc(-c2[c-]cccc2)ccc1[Ge](C)(C)C.[2H]C([2H])(c1cc([Ge](C)(C)C)cnc1-c1[c-]cccc1)C(C)C.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/5C31H27N2O.C20H28GeN.C19H26GeN.C18H24GeN.2C15H18GeN.5Ir/c5*1-19(2)21-12-9-13-22(20(3)4)29(21)33-27-17-7-6-16-26(27)32-31(33)25-15-10-14-24-23-11-5-8-18-28(23)34-30(24)25;1-15-19(21(5,6)7)17(14-20(2,3)4)13-18(22-15)16-11-9-8-10-12-16;1-14(2)12-17-13-18(20(4,5)6)15(3)21-19(17)16-10-8-7-9-11-16;1-14(2)11-16-12-17(19(3,4)5)13-20-18(16)15-9-7-6-8-10-15;1-12-10-14(16(2,3)4)11-17-15(12)13-8-6-5-7-9-13;1-12-14(16(2,3)4)10-11-15(17-12)13-8-6-5-7-9-13;;;;;/h5*5-14,16-20H,1-4H3;8-11,13H,14H2,1-7H3;7-10,13-14H,12H2,1-6H3;6-9,12-14H,11H2,1-5H3;2*5-8,10-11H,1-4H3;;;;;/q10*-1;;;;;/i;;;;;1D3,14D2;3D3,12D2;11D2;;1D3;;;;;
InChIKeyPCDRQNSEMVQESQ-LFHGZMNBSA-N
MW4786.98 g/mol
LogP63.87
Rot. Bonds38

About pentakis(2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole);[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;[5-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;[5-(1,1-dideuterio-2-methylpropyl)-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;pentakis(iridium);trimethyl-(5-methyl-6-phenyl-3-pyridinyl)germane;trimethyl-[6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]germane

pentakis(2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole);[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;[5-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;[5-(1,1-dideuterio-2-methylpropyl)-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;pentakis(iridium);trimethyl-(5-methyl-6-phenyl-3-pyridinyl)germane;trimethyl-[6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]germane (PubChem CID 160853804) has the molecular formula C242H249Ge5Ir5N15O5-10 and a molecular weight of 4786.98 g/mol. Its IUPAC name is pentakis(2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole);[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;[5-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;[5-(1,1-dideuterio-2-methylpropyl)-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;pentakis(iridium);trimethyl-(5-methyl-6-phenyl-3-pyridinyl)germane;trimethyl-[6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]germane.

Molecular Properties

Compound Namepentakis(2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole);[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;[5-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;[5-(1,1-dideuterio-2-methylpropyl)-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;pentakis(iridium);trimethyl-(5-methyl-6-phenyl-3-pyridinyl)germane;trimethyl-[6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]germane
PubChem CID160853804
Molecular FormulaC242H249Ge5Ir5N15O5-10
Molecular Weight4786.98 g/mol
Exact Mass4794.49
IUPAC Namepentakis(2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole);[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;[5-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;[5-(1,1-dideuterio-2-methylpropyl)-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;pentakis(iridium);trimethyl-(5-methyl-6-phenyl-3-pyridinyl)germane;trimethyl-[6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]germane
SMILESCC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.Cc1cc([Ge](C)(C)C)cnc1-c1[c-]cccc1.[2H]C([2H])([2H])c1nc(-c2[c-]cccc2)c(C([2H])([2H])C(C)C)cc1[Ge](C)(C)C.[2H]C([2H])([2H])c1nc(-c2[c-]cccc2)cc(C([2H])([2H])C(C)(C)C)c1[Ge](C)(C)C.[2H]C([2H])([2H])c1nc(-c2[c-]cccc2)ccc1[Ge](C)(C)C.[2H]C([2H])(c1cc([Ge](C)(C)C)cnc1-c1[c-]cccc1)C(C)C.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/5C31H27N2O.C20H28GeN.C19H26GeN.C18H24GeN.2C15H18GeN.5Ir/c5*1-19(2)21-12-9-13-22(20(3)4)29(21)33-27-17-7-6-16-26(27)32-31(33)25-15-10-14-24-23-11-5-8-18-28(23)34-30(24)25;1-15-19(21(5,6)7)17(14-20(2,3)4)13-18(22-15)16-11-9-8-10-12-16;1-14(2)12-17-13-18(20(4,5)6)15(3)21-19(17)16-10-8-7-9-11-16;1-14(2)11-16-12-17(19(3,4)5)13-20-18(16)15-9-7-6-8-10-15;1-12-10-14(16(2,3)4)11-17-15(12)13-8-6-5-7-9-13;1-12-14(16(2,3)4)10-11-15(17-12)13-8-6-5-7-9-13;;;;;/h5*5-14,16-20H,1-4H3;8-11,13H,14H2,1-7H3;7-10,13-14H,12H2,1-6H3;6-9,12-14H,11H2,1-5H3;2*5-8,10-11H,1-4H3;;;;;/q10*-1;;;;;/i;;;;;1D3,14D2;3D3,12D2;11D2;;1D3;;;;;
InChIKeyPCDRQNSEMVQESQ-LFHGZMNBSA-N
XLogP63.87
TPSA219.25 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds38
Heavy Atoms272
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004786.98
LogP ≤ 563.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze pentakis(2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole);[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;[5-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;[5-(1,1-dideuterio-2-methylpropyl)-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;pentakis(iridium);trimethyl-(5-methyl-6-phenyl-3-pyridinyl)germane;trimethyl-[6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]germane with MolForge

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Frequently Asked Questions

What is the IUPAC name of pentakis(2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole);[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;[5-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;[5-(1,1-dideuterio-2-methylpropyl)-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;pentakis(iridium);trimethyl-(5-methyl-6-phenyl-3-pyridinyl)germane;trimethyl-[6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]germane?
The IUPAC name of pentakis(2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole);[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;[5-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;[5-(1,1-dideuterio-2-methylpropyl)-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;pentakis(iridium);trimethyl-(5-methyl-6-phenyl-3-pyridinyl)germane;trimethyl-[6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]germane (CID 160853804) is pentakis(2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole);[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;[5-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;[5-(1,1-dideuterio-2-methylpropyl)-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;pentakis(iridium);trimethyl-(5-methyl-6-phenyl-3-pyridinyl)germane;trimethyl-[6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]germane.
What is the SMILES notation for pentakis(2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole);[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;[5-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;[5-(1,1-dideuterio-2-methylpropyl)-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;pentakis(iridium);trimethyl-(5-methyl-6-phenyl-3-pyridinyl)germane;trimethyl-[6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]germane?
The canonical SMILES for pentakis(2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole);[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;[5-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;[5-(1,1-dideuterio-2-methylpropyl)-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;pentakis(iridium);trimethyl-(5-methyl-6-phenyl-3-pyridinyl)germane;trimethyl-[6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]germane is CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.Cc1cc([Ge](C)(C)C)cnc1-c1[c-]cccc1.[2H]C([2H])([2H])c1nc(-c2[c-]cccc2)c(C([2H])([2H])C(C)C)cc1[Ge](C)(C)C.[2H]C([2H])([2H])c1nc(-c2[c-]cccc2)cc(C([2H])([2H])C(C)(C)C)c1[Ge](C)(C)C.[2H]C([2H])([2H])c1nc(-c2[c-]cccc2)ccc1[Ge](C)(C)C.[2H]C([2H])(c1cc([Ge](C)(C)C)cnc1-c1[c-]cccc1)C(C)C.[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of pentakis(2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole);[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;[5-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;[5-(1,1-dideuterio-2-methylpropyl)-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;pentakis(iridium);trimethyl-(5-methyl-6-phenyl-3-pyridinyl)germane;trimethyl-[6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]germane?
The InChIKey is PCDRQNSEMVQESQ-LFHGZMNBSA-N. The full InChI is InChI=1S/5C31H27N2O.C20H28GeN.C19H26GeN.C18H24GeN.2C15H18GeN.5Ir/c5*1-19(2)21-12-9-13-22(20(3)4)29(21)33-27-17-7-6-16-26(27)32-31(33)25-15-10-14-24-23-11-5-8-18-28(23)34-30(24)25;1-15-19(21(5,6)7)17(14-20(2,3)4)13-18(22-15)16-11-9-8-10-12-16;1-14(2)12-17-13-18(20(4,5)6)15(3)21-19(17)16-10-8-7-9-11-16;1-14(2)11-16-12-17(19(3,4)5)13-20-18(16)15-9-7-6-8-10-15;1-12-10-14(16(2,3)4)11-17-15(12)13-8-6-5-7-9-13;1-12-14(16(2,3)4)10-11-15(17-12)13-8-6-5-7-9-13;;;;;/h5*5-14,16-20H,1-4H3;8-11,13H,14H2,1-7H3;7-10,13-14H,12H2,1-6H3;6-9,12-14H,11H2,1-5H3;2*5-8,10-11H,1-4H3;;;;;/q10*-1;;;;;/i;;;;;1D3,14D2;3D3,12D2;11D2;;1D3;;;;;.
What are the key properties of pentakis(2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole);[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;[5-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;[5-(1,1-dideuterio-2-methylpropyl)-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;pentakis(iridium);trimethyl-(5-methyl-6-phenyl-3-pyridinyl)germane;trimethyl-[6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]germane?
pentakis(2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole);[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;[5-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;[5-(1,1-dideuterio-2-methylpropyl)-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;pentakis(iridium);trimethyl-(5-methyl-6-phenyl-3-pyridinyl)germane;trimethyl-[6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]germane has a molecular weight of 4786.98 g/mol, XLogP of 63.87, 38 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole);[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;[5-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;[5-(1,1-dideuterio-2-methylpropyl)-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;pentakis(iridium);trimethyl-(5-methyl-6-phenyl-3-pyridinyl)germane;trimethyl-[6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]germane is sourced from PubChem (CID 160853804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).