dicyclohexyl-[2-(2-methoxy-6-methylphenyl)phenyl]phosphane;tris(iridium);4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(4-methyl-2-phenylpyridine);4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-methyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]pyridine;toluene

C114H118BIr3N5O3P-5 — CID 158860986

About dicyclohexyl-[2-(2-methoxy-6-methylphenyl)phenyl]phosphane;tris(iridium);4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(4-methyl-2-phenylpyridine);4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-methyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]pyridine;toluene

dicyclohexyl-[2-(2-methoxy-6-methylphenyl)phenyl]phosphane;tris(iridium);4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(4-methyl-2-phenylpyridine);4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-methyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]pyridine;toluene (PubChem CID 158860986) has the molecular formula C114H118BIr3N5O3P-5 and a molecular weight of 2224.67 g/mol. Its IUPAC name is dicyclohexyl-[2-(2-methoxy-6-methylphenyl)phenyl]phosphane;tris(iridium);4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(4-methyl-2-phenylpyridine);4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-methyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]pyridine;toluene.

Molecular Properties

• Compound Name: dicyclohexyl-[2-(2-methoxy-6-methylphenyl)phenyl]phosphane;tris(iridium);4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(4-methyl-2-phenylpyridine);4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-methyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]pyridine;toluene
• PubChem CID: 158860986
• Molecular Formula: C114H118BIr3N5O3P-5
• Molecular Weight: 2224.67 g/mol
• Exact Mass: 2225.80
• IUPAC Name: dicyclohexyl-[2-(2-methoxy-6-methylphenyl)phenyl]phosphane;tris(iridium);4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(4-methyl-2-phenylpyridine);4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-methyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]pyridine;toluene
• SMILES: CC(C)Cc1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.COc1cccc(C)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1.Cc1ccccc1.Cc1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.Cc1ccnc(-c2[c-]ccc(B3OC(C)(C)C(C)(C)O3)c2)c1.Cc1ccnc(-c2[c-]cccc2)c1.Cc1ccnc(-c2[c-]cccc2)c1.[Ir].[Ir].[Ir]
• InChI: InChI=1S/C26H35OP.C21H20N.C18H21BNO2.C18H14N.2C12H10N.C7H8.3Ir/c1-20-12-11-18-24(27-2)26(20)23-17-9-10-19-25(23)28(21-13-5-3-6-14-21)22-15-7-4-8-16-22;1-16(2)13-17-11-12-22-21(14-17)20-10-6-9-19(15-20)18-7-4-3-5-8-18;1-13-9-10-20-16(11-13)14-7-6-8-15(12-14)19-21-17(2,3)18(4,5)22-19;1-14-10-11-19-18(12-14)17-9-5-8-16(13-17)15-6-3-2-4-7-15;2*1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;1-7-5-3-2-4-6-7;;;/h9-12,17-19,21-22H,3-8,13-16H2,1-2H3;3-9,11-12,14-16H,13H2,1-2H3;6,8-12H,1-5H3;2-8,10-13H,1H3;2*2-5,7-9H,1H3;2-6H,1H3;;;/q;5*-1
• InChIKey: UKNPEMKKWHMGEX-UHFFFAOYSA-N
• XLogP: 28.24
• TPSA: 92.14 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2224.67
LogP ≤ 5	28.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-[2-(2-methoxy-6-methylphenyl)phenyl]phosphane;tris(iridium);4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(4-methyl-2-phenylpyridine);4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-methyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]pyridine;toluene?

The IUPAC name of dicyclohexyl-[2-(2-methoxy-6-methylphenyl)phenyl]phosphane;tris(iridium);4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(4-methyl-2-phenylpyridine);4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-methyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]pyridine;toluene (CID 158860986) is dicyclohexyl-[2-(2-methoxy-6-methylphenyl)phenyl]phosphane;tris(iridium);4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(4-methyl-2-phenylpyridine);4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-methyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]pyridine;toluene.

What is the SMILES notation for dicyclohexyl-[2-(2-methoxy-6-methylphenyl)phenyl]phosphane;tris(iridium);4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(4-methyl-2-phenylpyridine);4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-methyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]pyridine;toluene?

The canonical SMILES for dicyclohexyl-[2-(2-methoxy-6-methylphenyl)phenyl]phosphane;tris(iridium);4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(4-methyl-2-phenylpyridine);4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-methyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]pyridine;toluene is CC(C)Cc1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.COc1cccc(C)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1.Cc1ccccc1.Cc1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.Cc1ccnc(-c2[c-]ccc(B3OC(C)(C)C(C)(C)O3)c2)c1.Cc1ccnc(-c2[c-]cccc2)c1.Cc1ccnc(-c2[c-]cccc2)c1.[Ir].[Ir].[Ir].

What is the InChIKey of dicyclohexyl-[2-(2-methoxy-6-methylphenyl)phenyl]phosphane;tris(iridium);4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(4-methyl-2-phenylpyridine);4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-methyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]pyridine;toluene?

The InChIKey is UKNPEMKKWHMGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35OP.C21H20N.C18H21BNO2.C18H14N.2C12H10N.C7H8.3Ir/c1-20-12-11-18-24(27-2)26(20)23-17-9-10-19-25(23)28(21-13-5-3-6-14-21)22-15-7-4-8-16-22;1-16(2)13-17-11-12-22-21(14-17)20-10-6-9-19(15-20)18-7-4-3-5-8-18;1-13-9-10-20-16(11-13)14-7-6-8-15(12-14)19-21-17(2,3)18(4,5)22-19;1-14-10-11-19-18(12-14)17-9-5-8-16(13-17)15-6-3-2-4-7-15;2*1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;1-7-5-3-2-4-6-7;;;/h9-12,17-19,21-22H,3-8,13-16H2,1-2H3;3-9,11-12,14-16H,13H2,1-2H3;6,8-12H,1-5H3;2-8,10-13H,1H3;2*2-5,7-9H,1H3;2-6H,1H3;;;/q;5*-1;;;;.

What are the key properties of dicyclohexyl-[2-(2-methoxy-6-methylphenyl)phenyl]phosphane;tris(iridium);4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(4-methyl-2-phenylpyridine);4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-methyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]pyridine;toluene?

dicyclohexyl-[2-(2-methoxy-6-methylphenyl)phenyl]phosphane;tris(iridium);4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(4-methyl-2-phenylpyridine);4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-methyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]pyridine;toluene has a molecular weight of 2224.67 g/mol, XLogP of 28.24, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for dicyclohexyl-[2-(2-methoxy-6-methylphenyl)phenyl]phosphane;tris(iridium);4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(4-methyl-2-phenylpyridine);4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-methyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]pyridine;toluene is sourced from PubChem (CID 158860986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).