8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide-2-carbonitrile;iridium;trimethyl-[4-(2-phenylbenzimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]germane

C50H51GeIrN5O-2 — CID 170521568

About 8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide-2-carbonitrile;iridium;trimethyl-[4-(2-phenylbenzimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]germane

8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide-2-carbonitrile;iridium;trimethyl-[4-(2-phenylbenzimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]germane (PubChem CID 170521568) has the molecular formula C50H51GeIrN5O-2 and a molecular weight of 1004.83 g/mol. Its IUPAC name is 8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide-2-carbonitrile;iridium;trimethyl-[4-(2-phenylbenzimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]germane.

Molecular Properties

• Compound Name: 8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide-2-carbonitrile;iridium;trimethyl-[4-(2-phenylbenzimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]germane
• PubChem CID: 170521568
• Molecular Formula: C50H51GeIrN5O-2
• Molecular Weight: 1004.83 g/mol
• Exact Mass: 1006.31
• IUPAC Name: 8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide-2-carbonitrile;iridium;trimethyl-[4-(2-phenylbenzimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]germane
• SMILES: CC(C)c1cc([Ge](C)(C)C)cc(C(C)C)c1-n1c(-c2[c-]cccc2)nc2ccccc21.[2H]C([2H])(c1ccnc(-c2[c-]ccc3c2oc2nc(C#N)ccc23)c1)C(C)(C)C.[Ir]
• InChI: InChI=1S/C28H33GeN2.C22H18N3O.Ir/c1-19(2)23-17-22(29(5,6)7)18-24(20(3)4)27(23)31-26-16-12-11-15-25(26)30-28(31)21-13-9-8-10-14-21;1-22(2,3)12-14-9-10-24-19(11-14)18-6-4-5-16-17-8-7-15(13-23)25-21(17)26-20(16)18;/h8-13,15-20H,1-7H3;4-5,7-11H,12H2,1-3H3;/q2*-1;/i;12D2
• InChIKey: NGGNNKHZXNOALQ-KKSLKZBJSA-N
• XLogP: 12.59
• TPSA: 80.53 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1004.83
LogP ≤ 5	12.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide-2-carbonitrile;iridium;trimethyl-[4-(2-phenylbenzimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]germane?

The IUPAC name of 8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide-2-carbonitrile;iridium;trimethyl-[4-(2-phenylbenzimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]germane (CID 170521568) is 8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide-2-carbonitrile;iridium;trimethyl-[4-(2-phenylbenzimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]germane.

What is the SMILES notation for 8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide-2-carbonitrile;iridium;trimethyl-[4-(2-phenylbenzimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]germane?

The canonical SMILES for 8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide-2-carbonitrile;iridium;trimethyl-[4-(2-phenylbenzimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]germane is CC(C)c1cc([Ge](C)(C)C)cc(C(C)C)c1-n1c(-c2[c-]cccc2)nc2ccccc21.[2H]C([2H])(c1ccnc(-c2[c-]ccc3c2oc2nc(C#N)ccc23)c1)C(C)(C)C.[Ir].

What is the InChIKey of 8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide-2-carbonitrile;iridium;trimethyl-[4-(2-phenylbenzimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]germane?

The InChIKey is NGGNNKHZXNOALQ-KKSLKZBJSA-N. The full InChI is InChI=1S/C28H33GeN2.C22H18N3O.Ir/c1-19(2)23-17-22(29(5,6)7)18-24(20(3)4)27(23)31-26-16-12-11-15-25(26)30-28(31)21-13-9-8-10-14-21;1-22(2,3)12-14-9-10-24-19(11-14)18-6-4-5-16-17-8-7-15(13-23)25-21(17)26-20(16)18;/h8-13,15-20H,1-7H3;4-5,7-11H,12H2,1-3H3;/q2*-1;/i;12D2;.

What are the key properties of 8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide-2-carbonitrile;iridium;trimethyl-[4-(2-phenylbenzimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]germane?

8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide-2-carbonitrile;iridium;trimethyl-[4-(2-phenylbenzimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]germane has a molecular weight of 1004.83 g/mol, XLogP of 12.59, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide-2-carbonitrile;iridium;trimethyl-[4-(2-phenylbenzimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]germane is sourced from PubChem (CID 170521568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).