[4-[8-[4-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-7H-dibenzofuran-7-id-2-yl]phenyl]-trimethylgermane;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane

C46H50Ge2IrN2O-2 — CID 166575608

About [4-[8-[4-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-7H-dibenzofuran-7-id-2-yl]phenyl]-trimethylgermane;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane

[4-[8-[4-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-7H-dibenzofuran-7-id-2-yl]phenyl]-trimethylgermane;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane (PubChem CID 166575608) has the molecular formula C46H50Ge2IrN2O-2 and a molecular weight of 984.36 g/mol. Its IUPAC name is [4-[8-[4-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-7H-dibenzofuran-7-id-2-yl]phenyl]-trimethylgermane;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane.

Molecular Properties

• Compound Name: [4-[8-[4-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-7H-dibenzofuran-7-id-2-yl]phenyl]-trimethylgermane;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
• PubChem CID: 166575608
• Molecular Formula: C46H50Ge2IrN2O-2
• Molecular Weight: 984.36 g/mol
• Exact Mass: 987.20
• IUPAC Name: [4-[8-[4-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-7H-dibenzofuran-7-id-2-yl]phenyl]-trimethylgermane;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
• SMILES: CC(c1ccnc(-c2[c-]cc3oc4ccc(-c5ccc([Ge](C)(C)C)cc5)cc4c3c2)c1)C(C)(C)C.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir]
• InChI: InChI=1S/C32H34GeNO.C14H16GeN.Ir/c1-21(32(2,3)4)23-16-17-34-29(20-23)25-11-15-31-28(19-25)27-18-24(10-14-30(27)35-31)22-8-12-26(13-9-22)33(5,6)7;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h8-10,12-21H,1-7H3;4-7,9-11H,1-3H3;/q2*-1
• InChIKey: DTCVAVMFWMJTDL-UHFFFAOYSA-N
• XLogP: 11.90
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	984.36
LogP ≤ 5	11.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[8-[4-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-7H-dibenzofuran-7-id-2-yl]phenyl]-trimethylgermane;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?

The IUPAC name of [4-[8-[4-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-7H-dibenzofuran-7-id-2-yl]phenyl]-trimethylgermane;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane (CID 166575608) is [4-[8-[4-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-7H-dibenzofuran-7-id-2-yl]phenyl]-trimethylgermane;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane.

What is the SMILES notation for [4-[8-[4-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-7H-dibenzofuran-7-id-2-yl]phenyl]-trimethylgermane;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?

The canonical SMILES for [4-[8-[4-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-7H-dibenzofuran-7-id-2-yl]phenyl]-trimethylgermane;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane is CC(c1ccnc(-c2[c-]cc3oc4ccc(-c5ccc([Ge](C)(C)C)cc5)cc4c3c2)c1)C(C)(C)C.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir].

What is the InChIKey of [4-[8-[4-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-7H-dibenzofuran-7-id-2-yl]phenyl]-trimethylgermane;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?

The InChIKey is DTCVAVMFWMJTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34GeNO.C14H16GeN.Ir/c1-21(32(2,3)4)23-16-17-34-29(20-23)25-11-15-31-28(19-25)27-18-24(10-14-30(27)35-31)22-8-12-26(13-9-22)33(5,6)7;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h8-10,12-21H,1-7H3;4-7,9-11H,1-3H3;/q2*-1;.

What are the key properties of [4-[8-[4-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-7H-dibenzofuran-7-id-2-yl]phenyl]-trimethylgermane;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?

[4-[8-[4-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-7H-dibenzofuran-7-id-2-yl]phenyl]-trimethylgermane;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane has a molecular weight of 984.36 g/mol, XLogP of 11.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[8-[4-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-7H-dibenzofuran-7-id-2-yl]phenyl]-trimethylgermane;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane is sourced from PubChem (CID 166575608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).