(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium;trimethyl-[10-methyl-4-(4-propan-2-ylbenzene-6-id-1-yl)benzo[h]quinazolin-8-yl]germane

C40H55GeIrN2O2- — CID 162692293

About (Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium;trimethyl-[10-methyl-4-(4-propan-2-ylbenzene-6-id-1-yl)benzo[h]quinazolin-8-yl]germane

(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium;trimethyl-[10-methyl-4-(4-propan-2-ylbenzene-6-id-1-yl)benzo[h]quinazolin-8-yl]germane (PubChem CID 162692293) has the molecular formula C40H55GeIrN2O2- and a molecular weight of 860.72 g/mol. Its IUPAC name is (Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium;trimethyl-[10-methyl-4-(4-propan-2-ylbenzene-6-id-1-yl)benzo[h]quinazolin-8-yl]germane.

Molecular Properties

• Compound Name: (Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium;trimethyl-[10-methyl-4-(4-propan-2-ylbenzene-6-id-1-yl)benzo[h]quinazolin-8-yl]germane
• PubChem CID: 162692293
• Molecular Formula: C40H55GeIrN2O2-
• Molecular Weight: 860.72 g/mol
• Exact Mass: 862.31
• IUPAC Name: (Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium;trimethyl-[10-methyl-4-(4-propan-2-ylbenzene-6-id-1-yl)benzo[h]quinazolin-8-yl]germane
• SMILES: CCC(C)(CC)C(=O)/C=C(\O)C(C)(CC)CC.Cc1cc([Ge](C)(C)C)cc2ccc3c(-c4[c-]cc(C(C)C)cc4)ncnc3c12.[Ir]
• InChI: InChI=1S/C25H27GeN2.C15H28O2.Ir/c1-16(2)18-7-9-19(10-8-18)24-22-12-11-20-14-21(26(4,5)6)13-17(3)23(20)25(22)28-15-27-24;1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;/h7-9,11-16H,1-6H3;11,16H,7-10H2,1-6H3;/q-1;;/b;12-11-
• InChIKey: FRDFPIHXHQLQOI-SWPBDETKSA-N
• XLogP: 10.87
• TPSA: 63.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	860.72
LogP ≤ 5	10.87
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 (Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium;trimethyl-[10-methyl-4-(4-propan-2-ylbenzene-6-id-1-yl)benzo[h]quinazolin-8-yl]germane?

The IUPAC name of (Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium;trimethyl-[10-methyl-4-(4-propan-2-ylbenzene-6-id-1-yl)benzo[h]quinazolin-8-yl]germane (CID 162692293) is (Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium;trimethyl-[10-methyl-4-(4-propan-2-ylbenzene-6-id-1-yl)benzo[h]quinazolin-8-yl]germane.

What is the SMILES notation for (Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium;trimethyl-[10-methyl-4-(4-propan-2-ylbenzene-6-id-1-yl)benzo[h]quinazolin-8-yl]germane?

The canonical SMILES for (Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium;trimethyl-[10-methyl-4-(4-propan-2-ylbenzene-6-id-1-yl)benzo[h]quinazolin-8-yl]germane is CCC(C)(CC)C(=O)/C=C(\O)C(C)(CC)CC.Cc1cc([Ge](C)(C)C)cc2ccc3c(-c4[c-]cc(C(C)C)cc4)ncnc3c12.[Ir].

What is the InChIKey of (Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium;trimethyl-[10-methyl-4-(4-propan-2-ylbenzene-6-id-1-yl)benzo[h]quinazolin-8-yl]germane?

The InChIKey is FRDFPIHXHQLQOI-SWPBDETKSA-N. The full InChI is InChI=1S/C25H27GeN2.C15H28O2.Ir/c1-16(2)18-7-9-19(10-8-18)24-22-12-11-20-14-21(26(4,5)6)13-17(3)23(20)25(22)28-15-27-24;1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;/h7-9,11-16H,1-6H3;11,16H,7-10H2,1-6H3;/q-1;;/b;12-11-;.

What are the key properties of (Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium;trimethyl-[10-methyl-4-(4-propan-2-ylbenzene-6-id-1-yl)benzo[h]quinazolin-8-yl]germane?

(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium;trimethyl-[10-methyl-4-(4-propan-2-ylbenzene-6-id-1-yl)benzo[h]quinazolin-8-yl]germane has a molecular weight of 860.72 g/mol, XLogP of 10.87, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium;trimethyl-[10-methyl-4-(4-propan-2-ylbenzene-6-id-1-yl)benzo[h]quinazolin-8-yl]germane is sourced from PubChem (CID 162692293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).