1-[2,6-bis(2-deuteriopropan-2-yl)-4-(4-phenylphenyl)phenyl]-2-[7-[2,4,6-tri(propan-2-yl)pyrimidin-5-yl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium

C70H70FGeIrN5O-2 — CID 170537679

About 1-[2,6-bis(2-deuteriopropan-2-yl)-4-(4-phenylphenyl)phenyl]-2-[7-[2,4,6-tri(propan-2-yl)pyrimidin-5-yl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium

1-[2,6-bis(2-deuteriopropan-2-yl)-4-(4-phenylphenyl)phenyl]-2-[7-[2,4,6-tri(propan-2-yl)pyrimidin-5-yl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium (PubChem CID 170537679) has the molecular formula C70H70FGeIrN5O-2 and a molecular weight of 1283.20 g/mol. Its IUPAC name is 1-[2,6-bis(2-deuteriopropan-2-yl)-4-(4-phenylphenyl)phenyl]-2-[7-[2,4,6-tri(propan-2-yl)pyrimidin-5-yl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium.

Molecular Properties

• Compound Name: 1-[2,6-bis(2-deuteriopropan-2-yl)-4-(4-phenylphenyl)phenyl]-2-[7-[2,4,6-tri(propan-2-yl)pyrimidin-5-yl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium
• PubChem CID: 170537679
• Molecular Formula: C70H70FGeIrN5O-2
• Molecular Weight: 1283.20 g/mol
• Exact Mass: 1284.45
• IUPAC Name: 1-[2,6-bis(2-deuteriopropan-2-yl)-4-(4-phenylphenyl)phenyl]-2-[7-[2,4,6-tri(propan-2-yl)pyrimidin-5-yl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium
• SMILES: C[Ge](C)(C)c1ccc(-c2[c-]cc(F)cc2)nc1.[2H]C(C)(C)c1cc(-c2ccc(-c3ccccc3)cc2)cc(C([2H])(C)C)c1-n1c(-c2[c-]ccc3c2oc2cc(-c4c(C(C)C)nc(C(C)C)nc4C(C)C)ccc23)nc2ccccc21.[Ir]
• InChI: InChI=1S/C56H55N4O.C14H15FGeN.Ir/c1-32(2)45-29-41(39-25-23-38(24-26-39)37-17-12-11-13-18-37)30-46(33(3)4)53(45)60-48-22-15-14-21-47(48)57-56(60)44-20-16-19-43-42-28-27-40(31-49(42)61-54(43)44)50-51(34(5)6)58-55(36(9)10)59-52(50)35(7)8;1-16(2,3)13-8-9-14(17-10-13)11-4-6-12(15)7-5-11;/h11-19,21-36H,1-10H3;4,6-10H,1-3H3;/q2*-1;/i32D,33D
• InChIKey: HWUZATNHAKRXEI-VYURJNKXSA-N
• XLogP: 19.03
• TPSA: 69.63 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1283.20
LogP ≤ 5	19.03
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 1-[2,6-bis(2-deuteriopropan-2-yl)-4-(4-phenylphenyl)phenyl]-2-[7-[2,4,6-tri(propan-2-yl)pyrimidin-5-yl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium?

The IUPAC name of 1-[2,6-bis(2-deuteriopropan-2-yl)-4-(4-phenylphenyl)phenyl]-2-[7-[2,4,6-tri(propan-2-yl)pyrimidin-5-yl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium (CID 170537679) is 1-[2,6-bis(2-deuteriopropan-2-yl)-4-(4-phenylphenyl)phenyl]-2-[7-[2,4,6-tri(propan-2-yl)pyrimidin-5-yl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium.

What is the SMILES notation for 1-[2,6-bis(2-deuteriopropan-2-yl)-4-(4-phenylphenyl)phenyl]-2-[7-[2,4,6-tri(propan-2-yl)pyrimidin-5-yl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium?

The canonical SMILES for 1-[2,6-bis(2-deuteriopropan-2-yl)-4-(4-phenylphenyl)phenyl]-2-[7-[2,4,6-tri(propan-2-yl)pyrimidin-5-yl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium is C[Ge](C)(C)c1ccc(-c2[c-]cc(F)cc2)nc1.[2H]C(C)(C)c1cc(-c2ccc(-c3ccccc3)cc2)cc(C([2H])(C)C)c1-n1c(-c2[c-]ccc3c2oc2cc(-c4c(C(C)C)nc(C(C)C)nc4C(C)C)ccc23)nc2ccccc21.[Ir].

What is the InChIKey of 1-[2,6-bis(2-deuteriopropan-2-yl)-4-(4-phenylphenyl)phenyl]-2-[7-[2,4,6-tri(propan-2-yl)pyrimidin-5-yl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium?

The InChIKey is HWUZATNHAKRXEI-VYURJNKXSA-N. The full InChI is InChI=1S/C56H55N4O.C14H15FGeN.Ir/c1-32(2)45-29-41(39-25-23-38(24-26-39)37-17-12-11-13-18-37)30-46(33(3)4)53(45)60-48-22-15-14-21-47(48)57-56(60)44-20-16-19-43-42-28-27-40(31-49(42)61-54(43)44)50-51(34(5)6)58-55(36(9)10)59-52(50)35(7)8;1-16(2,3)13-8-9-14(17-10-13)11-4-6-12(15)7-5-11;/h11-19,21-36H,1-10H3;4,6-10H,1-3H3;/q2*-1;/i32D,33D;;.

What are the key properties of 1-[2,6-bis(2-deuteriopropan-2-yl)-4-(4-phenylphenyl)phenyl]-2-[7-[2,4,6-tri(propan-2-yl)pyrimidin-5-yl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium?

1-[2,6-bis(2-deuteriopropan-2-yl)-4-(4-phenylphenyl)phenyl]-2-[7-[2,4,6-tri(propan-2-yl)pyrimidin-5-yl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium has a molecular weight of 1283.20 g/mol, XLogP of 19.03, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2,6-bis(2-deuteriopropan-2-yl)-4-(4-phenylphenyl)phenyl]-2-[7-[2,4,6-tri(propan-2-yl)pyrimidin-5-yl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium is sourced from PubChem (CID 170537679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).