2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5,7-dimethyl-4-(3,3,5,5-tetramethylcyclohexyl)quinoline;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-4-[4-[4-(2,2-dimethylpropyl)phenyl]phenyl]pyridine;iridium

C78H96IrN2O2-2 — CID 165160743

About 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5,7-dimethyl-4-(3,3,5,5-tetramethylcyclohexyl)quinoline;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-4-[4-[4-(2,2-dimethylpropyl)phenyl]phenyl]pyridine;iridium

2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5,7-dimethyl-4-(3,3,5,5-tetramethylcyclohexyl)quinoline;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-4-[4-[4-(2,2-dimethylpropyl)phenyl]phenyl]pyridine;iridium (PubChem CID 165160743) has the molecular formula C78H96IrN2O2-2 and a molecular weight of 1285.85 g/mol. Its IUPAC name is 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5,7-dimethyl-4-(3,3,5,5-tetramethylcyclohexyl)quinoline;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-4-[4-[4-(2,2-dimethylpropyl)phenyl]phenyl]pyridine;iridium.

Molecular Properties

• Compound Name: 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5,7-dimethyl-4-(3,3,5,5-tetramethylcyclohexyl)quinoline;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-4-[4-[4-(2,2-dimethylpropyl)phenyl]phenyl]pyridine;iridium
• PubChem CID: 165160743
• Molecular Formula: C78H96IrN2O2-2
• Molecular Weight: 1285.85 g/mol
• Exact Mass: 1285.71
• IUPAC Name: 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5,7-dimethyl-4-(3,3,5,5-tetramethylcyclohexyl)quinoline;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-4-[4-[4-(2,2-dimethylpropyl)phenyl]phenyl]pyridine;iridium
• SMILES: CCC(CC)C(=O)/C=C(\O)C(CC)CC.Cc1[c-]c(-c2cc(-c3ccc(-c4ccc(CC(C)(C)C)cc4)cc3)ccn2)cc(C)c1.Cc1cc(C)c2c(C3CC(C)(C)CC(C)(C)C3)cc(-c3[c-]c4ccccc4c(C(C)(C)C)c3)nc2c1.[Ir]
• InChI: InChI=1S/C35H42N.C30H30N.C13H24O2.Ir/c1-22-14-23(2)32-28(26-19-34(6,7)21-35(8,9)20-26)18-30(36-31(32)15-22)25-16-24-12-10-11-13-27(24)29(17-25)33(3,4)5;1-21-16-22(2)18-28(17-21)29-19-27(14-15-31-29)26-12-10-25(11-13-26)24-8-6-23(7-9-24)20-30(3,4)5;1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;/h10-15,17-18,26H,19-21H2,1-9H3;6-17,19H,20H2,1-5H3;9-11,14H,5-8H2,1-4H3;/q2*-1;;/b;;12-9-
• InChIKey: YAAZBRSQTPZCNC-QPQRVQKTSA-N
• XLogP: 22.04
• TPSA: 63.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1285.85
LogP ≤ 5	22.04
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'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5,7-dimethyl-4-(3,3,5,5-tetramethylcyclohexyl)quinoline;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-4-[4-[4-(2,2-dimethylpropyl)phenyl]phenyl]pyridine;iridium?

The IUPAC name of 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5,7-dimethyl-4-(3,3,5,5-tetramethylcyclohexyl)quinoline;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-4-[4-[4-(2,2-dimethylpropyl)phenyl]phenyl]pyridine;iridium (CID 165160743) is 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5,7-dimethyl-4-(3,3,5,5-tetramethylcyclohexyl)quinoline;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-4-[4-[4-(2,2-dimethylpropyl)phenyl]phenyl]pyridine;iridium.

What is the SMILES notation for 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5,7-dimethyl-4-(3,3,5,5-tetramethylcyclohexyl)quinoline;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-4-[4-[4-(2,2-dimethylpropyl)phenyl]phenyl]pyridine;iridium?

The canonical SMILES for 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5,7-dimethyl-4-(3,3,5,5-tetramethylcyclohexyl)quinoline;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-4-[4-[4-(2,2-dimethylpropyl)phenyl]phenyl]pyridine;iridium is CCC(CC)C(=O)/C=C(\O)C(CC)CC.Cc1[c-]c(-c2cc(-c3ccc(-c4ccc(CC(C)(C)C)cc4)cc3)ccn2)cc(C)c1.Cc1cc(C)c2c(C3CC(C)(C)CC(C)(C)C3)cc(-c3[c-]c4ccccc4c(C(C)(C)C)c3)nc2c1.[Ir].

What is the InChIKey of 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5,7-dimethyl-4-(3,3,5,5-tetramethylcyclohexyl)quinoline;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-4-[4-[4-(2,2-dimethylpropyl)phenyl]phenyl]pyridine;iridium?

The InChIKey is YAAZBRSQTPZCNC-QPQRVQKTSA-N. The full InChI is InChI=1S/C35H42N.C30H30N.C13H24O2.Ir/c1-22-14-23(2)32-28(26-19-34(6,7)21-35(8,9)20-26)18-30(36-31(32)15-22)25-16-24-12-10-11-13-27(24)29(17-25)33(3,4)5;1-21-16-22(2)18-28(17-21)29-19-27(14-15-31-29)26-12-10-25(11-13-26)24-8-6-23(7-9-24)20-30(3,4)5;1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;/h10-15,17-18,26H,19-21H2,1-9H3;6-17,19H,20H2,1-5H3;9-11,14H,5-8H2,1-4H3;/q2*-1;;/b;;12-9-;.

What are the key properties of 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5,7-dimethyl-4-(3,3,5,5-tetramethylcyclohexyl)quinoline;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-4-[4-[4-(2,2-dimethylpropyl)phenyl]phenyl]pyridine;iridium?

2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5,7-dimethyl-4-(3,3,5,5-tetramethylcyclohexyl)quinoline;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-4-[4-[4-(2,2-dimethylpropyl)phenyl]phenyl]pyridine;iridium has a molecular weight of 1285.85 g/mol, XLogP of 22.04, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5,7-dimethyl-4-(3,3,5,5-tetramethylcyclohexyl)quinoline;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-4-[4-[4-(2,2-dimethylpropyl)phenyl]phenyl]pyridine;iridium is sourced from PubChem (CID 165160743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).