[4-(4-fluorobenzene-6-id-1-yl)-2-methylbenzo[h]quinazolin-10-yl]-trimethylgermane;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium

C33H40FGeIrN2O2- — CID 162692749

About [4-(4-fluorobenzene-6-id-1-yl)-2-methylbenzo[h]quinazolin-10-yl]-trimethylgermane;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium

[4-(4-fluorobenzene-6-id-1-yl)-2-methylbenzo[h]quinazolin-10-yl]-trimethylgermane;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium (PubChem CID 162692749) has the molecular formula C33H40FGeIrN2O2- and a molecular weight of 780.52 g/mol. Its IUPAC name is [4-(4-fluorobenzene-6-id-1-yl)-2-methylbenzo[h]quinazolin-10-yl]-trimethylgermane;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium.

Molecular Properties

• Compound Name: [4-(4-fluorobenzene-6-id-1-yl)-2-methylbenzo[h]quinazolin-10-yl]-trimethylgermane;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium
• PubChem CID: 162692749
• Molecular Formula: C33H40FGeIrN2O2-
• Molecular Weight: 780.52 g/mol
• Exact Mass: 782.19
• IUPAC Name: [4-(4-fluorobenzene-6-id-1-yl)-2-methylbenzo[h]quinazolin-10-yl]-trimethylgermane;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium
• SMILES: CC(C)(C)C(=O)/C=C(\O)C(C)(C)C.Cc1nc(-c2[c-]cc(F)cc2)c2ccc3cccc([Ge](C)(C)C)c3c2n1.[Ir]
• InChI: InChI=1S/C22H20FGeN2.C11H20O2.Ir/c1-14-25-21(16-8-11-17(23)12-9-16)18-13-10-15-6-5-7-19(24(2,3)4)20(15)22(18)26-14;1-10(2,3)8(12)7-9(13)11(4,5)6;/h5-8,10-13H,1-4H3;7,12H,1-6H3;/q-1;;/b;8-7-
• InChIKey: OQYAHIGIVILQES-HXIBTQJOSA-N
• XLogP: 8.33
• TPSA: 63.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	780.52
LogP ≤ 5	8.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorobenzene-6-id-1-yl)-2-methylbenzo[h]quinazolin-10-yl]-trimethylgermane;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium?

The IUPAC name of [4-(4-fluorobenzene-6-id-1-yl)-2-methylbenzo[h]quinazolin-10-yl]-trimethylgermane;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium (CID 162692749) is [4-(4-fluorobenzene-6-id-1-yl)-2-methylbenzo[h]quinazolin-10-yl]-trimethylgermane;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium.

What is the SMILES notation for [4-(4-fluorobenzene-6-id-1-yl)-2-methylbenzo[h]quinazolin-10-yl]-trimethylgermane;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium?

The canonical SMILES for [4-(4-fluorobenzene-6-id-1-yl)-2-methylbenzo[h]quinazolin-10-yl]-trimethylgermane;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium is CC(C)(C)C(=O)/C=C(\O)C(C)(C)C.Cc1nc(-c2[c-]cc(F)cc2)c2ccc3cccc([Ge](C)(C)C)c3c2n1.[Ir].

What is the InChIKey of [4-(4-fluorobenzene-6-id-1-yl)-2-methylbenzo[h]quinazolin-10-yl]-trimethylgermane;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium?

The InChIKey is OQYAHIGIVILQES-HXIBTQJOSA-N. The full InChI is InChI=1S/C22H20FGeN2.C11H20O2.Ir/c1-14-25-21(16-8-11-17(23)12-9-16)18-13-10-15-6-5-7-19(24(2,3)4)20(15)22(18)26-14;1-10(2,3)8(12)7-9(13)11(4,5)6;/h5-8,10-13H,1-4H3;7,12H,1-6H3;/q-1;;/b;8-7-;.

What are the key properties of [4-(4-fluorobenzene-6-id-1-yl)-2-methylbenzo[h]quinazolin-10-yl]-trimethylgermane;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium?

[4-(4-fluorobenzene-6-id-1-yl)-2-methylbenzo[h]quinazolin-10-yl]-trimethylgermane;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium has a molecular weight of 780.52 g/mol, XLogP of 8.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(4-fluorobenzene-6-id-1-yl)-2-methylbenzo[h]quinazolin-10-yl]-trimethylgermane;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium is sourced from PubChem (CID 162692749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).