(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium;trimethyl-[2,8,10-trimethyl-4-[4-(trideuteriomethyl)benzene-6-id-1-yl]benzo[h]quinazolin-9-yl]germane

C38H51GeIrN2O2- — CID 162693152

About (Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium;trimethyl-[2,8,10-trimethyl-4-[4-(trideuteriomethyl)benzene-6-id-1-yl]benzo[h]quinazolin-9-yl]germane

(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium;trimethyl-[2,8,10-trimethyl-4-[4-(trideuteriomethyl)benzene-6-id-1-yl]benzo[h]quinazolin-9-yl]germane (PubChem CID 162693152) has the molecular formula C38H51GeIrN2O2- and a molecular weight of 835.68 g/mol. Its IUPAC name is (Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium;trimethyl-[2,8,10-trimethyl-4-[4-(trideuteriomethyl)benzene-6-id-1-yl]benzo[h]quinazolin-9-yl]germane.

Molecular Properties

• Compound Name: (Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium;trimethyl-[2,8,10-trimethyl-4-[4-(trideuteriomethyl)benzene-6-id-1-yl]benzo[h]quinazolin-9-yl]germane
• PubChem CID: 162693152
• Molecular Formula: C38H51GeIrN2O2-
• Molecular Weight: 835.68 g/mol
• Exact Mass: 837.30
• IUPAC Name: (Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium;trimethyl-[2,8,10-trimethyl-4-[4-(trideuteriomethyl)benzene-6-id-1-yl]benzo[h]quinazolin-9-yl]germane
• SMILES: CCC(C)(C)C(=O)/C=C(\O)C(C)(C)CC.[2H]C([2H])([2H])c1c[c-]c(-c2nc(C)nc3c2ccc2cc(C)c([Ge](C)(C)C)c(C)c23)cc1.[Ir]
• InChI: InChI=1S/C25H27GeN2.C13H24O2.Ir/c1-15-8-10-19(11-9-15)24-21-13-12-20-14-16(2)23(26(5,6)7)17(3)22(20)25(21)28-18(4)27-24;1-7-12(3,4)10(14)9-11(15)13(5,6)8-2;/h8-10,12-14H,1-7H3;9,14H,7-8H2,1-6H3;/q-1;;/b;10-9-;/i1D3
• InChIKey: CVWKJKOWQUZWDS-QQTUFXDCSA-N
• XLogP: 9.90
• TPSA: 63.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	835.68
LogP ≤ 5	9.90
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)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium;trimethyl-[2,8,10-trimethyl-4-[4-(trideuteriomethyl)benzene-6-id-1-yl]benzo[h]quinazolin-9-yl]germane?

The IUPAC name of (Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium;trimethyl-[2,8,10-trimethyl-4-[4-(trideuteriomethyl)benzene-6-id-1-yl]benzo[h]quinazolin-9-yl]germane (CID 162693152) is (Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium;trimethyl-[2,8,10-trimethyl-4-[4-(trideuteriomethyl)benzene-6-id-1-yl]benzo[h]quinazolin-9-yl]germane.

What is the SMILES notation for (Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium;trimethyl-[2,8,10-trimethyl-4-[4-(trideuteriomethyl)benzene-6-id-1-yl]benzo[h]quinazolin-9-yl]germane?

The canonical SMILES for (Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium;trimethyl-[2,8,10-trimethyl-4-[4-(trideuteriomethyl)benzene-6-id-1-yl]benzo[h]quinazolin-9-yl]germane is CCC(C)(C)C(=O)/C=C(\O)C(C)(C)CC.[2H]C([2H])([2H])c1c[c-]c(-c2nc(C)nc3c2ccc2cc(C)c([Ge](C)(C)C)c(C)c23)cc1.[Ir].

What is the InChIKey of (Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium;trimethyl-[2,8,10-trimethyl-4-[4-(trideuteriomethyl)benzene-6-id-1-yl]benzo[h]quinazolin-9-yl]germane?

The InChIKey is CVWKJKOWQUZWDS-QQTUFXDCSA-N. The full InChI is InChI=1S/C25H27GeN2.C13H24O2.Ir/c1-15-8-10-19(11-9-15)24-21-13-12-20-14-16(2)23(26(5,6)7)17(3)22(20)25(21)28-18(4)27-24;1-7-12(3,4)10(14)9-11(15)13(5,6)8-2;/h8-10,12-14H,1-7H3;9,14H,7-8H2,1-6H3;/q-1;;/b;10-9-;/i1D3;;.

What are the key properties of (Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium;trimethyl-[2,8,10-trimethyl-4-[4-(trideuteriomethyl)benzene-6-id-1-yl]benzo[h]quinazolin-9-yl]germane?

(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium;trimethyl-[2,8,10-trimethyl-4-[4-(trideuteriomethyl)benzene-6-id-1-yl]benzo[h]quinazolin-9-yl]germane has a molecular weight of 835.68 g/mol, XLogP of 9.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium;trimethyl-[2,8,10-trimethyl-4-[4-(trideuteriomethyl)benzene-6-id-1-yl]benzo[h]quinazolin-9-yl]germane is sourced from PubChem (CID 162693152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).