carbanide;3,7-diethyl-6-hydroxy-7-methylnon-5-en-4-one;3,7-diethyl-3-methylnonane-4,6-dione;[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline;[1-(3,5-dimethylphenyl)isoquinolin-6-yl]-trimethylsilane;1-(3,5-dimethylphenyl)-6-methylisoquinoline;iridium(3+)

C105H133IrN4O4Si2 — CID 157064552

About carbanide;3,7-diethyl-6-hydroxy-7-methylnon-5-en-4-one;3,7-diethyl-3-methylnonane-4,6-dione;[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline;[1-(3,5-dimethylphenyl)isoquinolin-6-yl]-trimethylsilane;1-(3,5-dimethylphenyl)-6-methylisoquinoline;iridium(3+)

carbanide;3,7-diethyl-6-hydroxy-7-methylnon-5-en-4-one;3,7-diethyl-3-methylnonane-4,6-dione;[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline;[1-(3,5-dimethylphenyl)isoquinolin-6-yl]-trimethylsilane;1-(3,5-dimethylphenyl)-6-methylisoquinoline;iridium(3+) (PubChem CID 157064552) has the molecular formula C105H133IrN4O4Si2 and a molecular weight of 1763.63 g/mol. Its IUPAC name is carbanide;3,7-diethyl-6-hydroxy-7-methylnon-5-en-4-one;3,7-diethyl-3-methylnonane-4,6-dione;[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline;[1-(3,5-dimethylphenyl)isoquinolin-6-yl]-trimethylsilane;1-(3,5-dimethylphenyl)-6-methylisoquinoline;iridium(3+).

Molecular Properties

• Compound Name: carbanide;3,7-diethyl-6-hydroxy-7-methylnon-5-en-4-one;3,7-diethyl-3-methylnonane-4,6-dione;[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline;[1-(3,5-dimethylphenyl)isoquinolin-6-yl]-trimethylsilane;1-(3,5-dimethylphenyl)-6-methylisoquinoline;iridium(3+)
• PubChem CID: 157064552
• Molecular Formula: C105H133IrN4O4Si2
• Molecular Weight: 1763.63 g/mol
• Exact Mass: 1762.95
• IUPAC Name: carbanide;3,7-diethyl-6-hydroxy-7-methylnon-5-en-4-one;3,7-diethyl-3-methylnonane-4,6-dione;[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline;[1-(3,5-dimethylphenyl)isoquinolin-6-yl]-trimethylsilane;1-(3,5-dimethylphenyl)-6-methylisoquinoline;iridium(3+)
• SMILES: CCC(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(CC)C(=O)CC(=O)C(C)(CC)CC.Cc1[c-]c(-c2nccc3cc(C)ccc23)cc(C)c1.Cc1[c-]c(-c2nccc3cc([Si](C)(C)C)ccc23)cc(C)c1.Cc1cc(C)cc(-c2nccc3cc(C)ccc23)c1.Cc1cc(C)cc(-c2nccc3cc([Si](C)(C)C)ccc23)c1.[CH3-].[Ir+3]
• InChI: InChI=1S/C20H23NSi.C20H22NSi.C18H17N.C18H16N.2C14H26O2.CH3.Ir/c2*1-14-10-15(2)12-17(11-14)20-19-7-6-18(22(3,4)5)13-16(19)8-9-21-20;2*1-12-4-5-17-15(9-12)6-7-19-18(17)16-10-13(2)8-14(3)11-16;2*1-6-11(7-2)12(15)10-13(16)14(5,8-3)9-4;;/h6-13H,1-5H3;6-11,13H,1-5H3;4-11H,1-3H3;4-10H,1-3H3;11H,6-10H2,1-5H3;10-11,16H,6-9H2,1-5H3;1H3;/q;-1;;-1;;;-1;+3
• InChIKey: XQNKXKVBZSLFOH-UHFFFAOYSA-N
• XLogP: 27.87
• TPSA: 123.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 21
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1763.63
LogP ≤ 5	27.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbanide;3,7-diethyl-6-hydroxy-7-methylnon-5-en-4-one;3,7-diethyl-3-methylnonane-4,6-dione;[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline;[1-(3,5-dimethylphenyl)isoquinolin-6-yl]-trimethylsilane;1-(3,5-dimethylphenyl)-6-methylisoquinoline;iridium(3+)?

The IUPAC name of carbanide;3,7-diethyl-6-hydroxy-7-methylnon-5-en-4-one;3,7-diethyl-3-methylnonane-4,6-dione;[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline;[1-(3,5-dimethylphenyl)isoquinolin-6-yl]-trimethylsilane;1-(3,5-dimethylphenyl)-6-methylisoquinoline;iridium(3+) (CID 157064552) is carbanide;3,7-diethyl-6-hydroxy-7-methylnon-5-en-4-one;3,7-diethyl-3-methylnonane-4,6-dione;[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline;[1-(3,5-dimethylphenyl)isoquinolin-6-yl]-trimethylsilane;1-(3,5-dimethylphenyl)-6-methylisoquinoline;iridium(3+).

What is the SMILES notation for carbanide;3,7-diethyl-6-hydroxy-7-methylnon-5-en-4-one;3,7-diethyl-3-methylnonane-4,6-dione;[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline;[1-(3,5-dimethylphenyl)isoquinolin-6-yl]-trimethylsilane;1-(3,5-dimethylphenyl)-6-methylisoquinoline;iridium(3+)?

The canonical SMILES for carbanide;3,7-diethyl-6-hydroxy-7-methylnon-5-en-4-one;3,7-diethyl-3-methylnonane-4,6-dione;[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline;[1-(3,5-dimethylphenyl)isoquinolin-6-yl]-trimethylsilane;1-(3,5-dimethylphenyl)-6-methylisoquinoline;iridium(3+) is CCC(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(CC)C(=O)CC(=O)C(C)(CC)CC.Cc1[c-]c(-c2nccc3cc(C)ccc23)cc(C)c1.Cc1[c-]c(-c2nccc3cc([Si](C)(C)C)ccc23)cc(C)c1.Cc1cc(C)cc(-c2nccc3cc(C)ccc23)c1.Cc1cc(C)cc(-c2nccc3cc([Si](C)(C)C)ccc23)c1.[CH3-].[Ir+3].

What is the InChIKey of carbanide;3,7-diethyl-6-hydroxy-7-methylnon-5-en-4-one;3,7-diethyl-3-methylnonane-4,6-dione;[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline;[1-(3,5-dimethylphenyl)isoquinolin-6-yl]-trimethylsilane;1-(3,5-dimethylphenyl)-6-methylisoquinoline;iridium(3+)?

The InChIKey is XQNKXKVBZSLFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NSi.C20H22NSi.C18H17N.C18H16N.2C14H26O2.CH3.Ir/c2*1-14-10-15(2)12-17(11-14)20-19-7-6-18(22(3,4)5)13-16(19)8-9-21-20;2*1-12-4-5-17-15(9-12)6-7-19-18(17)16-10-13(2)8-14(3)11-16;2*1-6-11(7-2)12(15)10-13(16)14(5,8-3)9-4;;/h6-13H,1-5H3;6-11,13H,1-5H3;4-11H,1-3H3;4-10H,1-3H3;11H,6-10H2,1-5H3;10-11,16H,6-9H2,1-5H3;1H3;/q;-1;;-1;;;-1;+3.

What are the key properties of carbanide;3,7-diethyl-6-hydroxy-7-methylnon-5-en-4-one;3,7-diethyl-3-methylnonane-4,6-dione;[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline;[1-(3,5-dimethylphenyl)isoquinolin-6-yl]-trimethylsilane;1-(3,5-dimethylphenyl)-6-methylisoquinoline;iridium(3+)?

carbanide;3,7-diethyl-6-hydroxy-7-methylnon-5-en-4-one;3,7-diethyl-3-methylnonane-4,6-dione;[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline;[1-(3,5-dimethylphenyl)isoquinolin-6-yl]-trimethylsilane;1-(3,5-dimethylphenyl)-6-methylisoquinoline;iridium(3+) has a molecular weight of 1763.63 g/mol, XLogP of 27.87, 21 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;3,7-diethyl-6-hydroxy-7-methylnon-5-en-4-one;3,7-diethyl-3-methylnonane-4,6-dione;[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline;[1-(3,5-dimethylphenyl)isoquinolin-6-yl]-trimethylsilane;1-(3,5-dimethylphenyl)-6-methylisoquinoline;iridium(3+) is sourced from PubChem (CID 157064552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).