(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;1-(3,5-dimethylbenzene-6-id-1-yl)-8-(3,3,5,5-tetramethylcyclohexyl)naphtho[2,1-f]isoquinoline;iridium

C50H64IrNO2- — CID 166015666

About (Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;1-(3,5-dimethylbenzene-6-id-1-yl)-8-(3,3,5,5-tetramethylcyclohexyl)naphtho[2,1-f]isoquinoline;iridium

(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;1-(3,5-dimethylbenzene-6-id-1-yl)-8-(3,3,5,5-tetramethylcyclohexyl)naphtho[2,1-f]isoquinoline;iridium (PubChem CID 166015666) has the molecular formula C50H64IrNO2- and a molecular weight of 903.28 g/mol. Its IUPAC name is (Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;1-(3,5-dimethylbenzene-6-id-1-yl)-8-(3,3,5,5-tetramethylcyclohexyl)naphtho[2,1-f]isoquinoline;iridium.

Molecular Properties

• Compound Name: (Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;1-(3,5-dimethylbenzene-6-id-1-yl)-8-(3,3,5,5-tetramethylcyclohexyl)naphtho[2,1-f]isoquinoline;iridium
• PubChem CID: 166015666
• Molecular Formula: C50H64IrNO2-
• Molecular Weight: 903.28 g/mol
• Exact Mass: 903.46
• IUPAC Name: (Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;1-(3,5-dimethylbenzene-6-id-1-yl)-8-(3,3,5,5-tetramethylcyclohexyl)naphtho[2,1-f]isoquinoline;iridium
• SMILES: CCC(C)(CC)C(=O)/C=C(\O)C(C)(CC)CC.Cc1[c-]c(-c2nccc3c2ccc2c4ccc(C5CC(C)(C)CC(C)(C)C5)cc4ccc32)cc(C)c1.[Ir]
• InChI: InChI=1S/C35H36N.C15H28O2.Ir/c1-22-15-23(2)17-26(16-22)33-32-12-11-29-28-9-7-24(27-19-34(3,4)21-35(5,6)20-27)18-25(28)8-10-30(29)31(32)13-14-36-33;1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;/h7-16,18,27H,19-21H2,1-6H3;11,16H,7-10H2,1-6H3;/q-1;;/b;12-11-
• InChIKey: UDGZCYBLLXVGJP-SWPBDETKSA-N
• XLogP: 14.59
• TPSA: 50.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	903.28
LogP ≤ 5	14.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

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;1-(3,5-dimethylbenzene-6-id-1-yl)-8-(3,3,5,5-tetramethylcyclohexyl)naphtho[2,1-f]isoquinoline;iridium?

The IUPAC name of (Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;1-(3,5-dimethylbenzene-6-id-1-yl)-8-(3,3,5,5-tetramethylcyclohexyl)naphtho[2,1-f]isoquinoline;iridium (CID 166015666) is (Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;1-(3,5-dimethylbenzene-6-id-1-yl)-8-(3,3,5,5-tetramethylcyclohexyl)naphtho[2,1-f]isoquinoline;iridium.

What is the SMILES notation for (Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;1-(3,5-dimethylbenzene-6-id-1-yl)-8-(3,3,5,5-tetramethylcyclohexyl)naphtho[2,1-f]isoquinoline;iridium?

The canonical SMILES for (Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;1-(3,5-dimethylbenzene-6-id-1-yl)-8-(3,3,5,5-tetramethylcyclohexyl)naphtho[2,1-f]isoquinoline;iridium is CCC(C)(CC)C(=O)/C=C(\O)C(C)(CC)CC.Cc1[c-]c(-c2nccc3c2ccc2c4ccc(C5CC(C)(C)CC(C)(C)C5)cc4ccc32)cc(C)c1.[Ir].

What is the InChIKey of (Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;1-(3,5-dimethylbenzene-6-id-1-yl)-8-(3,3,5,5-tetramethylcyclohexyl)naphtho[2,1-f]isoquinoline;iridium?

The InChIKey is UDGZCYBLLXVGJP-SWPBDETKSA-N. The full InChI is InChI=1S/C35H36N.C15H28O2.Ir/c1-22-15-23(2)17-26(16-22)33-32-12-11-29-28-9-7-24(27-19-34(3,4)21-35(5,6)20-27)18-25(28)8-10-30(29)31(32)13-14-36-33;1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;/h7-16,18,27H,19-21H2,1-6H3;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;1-(3,5-dimethylbenzene-6-id-1-yl)-8-(3,3,5,5-tetramethylcyclohexyl)naphtho[2,1-f]isoquinoline;iridium?

(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;1-(3,5-dimethylbenzene-6-id-1-yl)-8-(3,3,5,5-tetramethylcyclohexyl)naphtho[2,1-f]isoquinoline;iridium has a molecular weight of 903.28 g/mol, XLogP of 14.59, 9 rotatable bonds, 1 hydrogen bond donors, and 3 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;1-(3,5-dimethylbenzene-6-id-1-yl)-8-(3,3,5,5-tetramethylcyclohexyl)naphtho[2,1-f]isoquinoline;iridium is sourced from PubChem (CID 166015666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).