2-(2-bicyclo[2.2.1]heptanyl)-4-phenyl-1,3,5-triazine;4-tert-butyl-6-phenylpyrimidine;tetrakis(iridium);2-methyl-4-(3-phenylbenzene-6-id-1-yl)-1,3,5-triazine;pentane-2,4-diol;4-phenyl-2-phenyl-1,3,5-triazine

C66H65Ir4N11O2-4 — CID 158121298

About 2-(2-bicyclo[2.2.1]heptanyl)-4-phenyl-1,3,5-triazine;4-tert-butyl-6-phenylpyrimidine;tetrakis(iridium);2-methyl-4-(3-phenylbenzene-6-id-1-yl)-1,3,5-triazine;pentane-2,4-diol;4-phenyl-2-phenyl-1,3,5-triazine

2-(2-bicyclo[2.2.1]heptanyl)-4-phenyl-1,3,5-triazine;4-tert-butyl-6-phenylpyrimidine;tetrakis(iridium);2-methyl-4-(3-phenylbenzene-6-id-1-yl)-1,3,5-triazine;pentane-2,4-diol;4-phenyl-2-phenyl-1,3,5-triazine (PubChem CID 158121298) has the molecular formula C66H65Ir4N11O2-4 and a molecular weight of 1813.19 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-4-phenyl-1,3,5-triazine;4-tert-butyl-6-phenylpyrimidine;tetrakis(iridium);2-methyl-4-(3-phenylbenzene-6-id-1-yl)-1,3,5-triazine;pentane-2,4-diol;4-phenyl-2-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(2-bicyclo[2.2.1]heptanyl)-4-phenyl-1,3,5-triazine;4-tert-butyl-6-phenylpyrimidine;tetrakis(iridium);2-methyl-4-(3-phenylbenzene-6-id-1-yl)-1,3,5-triazine;pentane-2,4-diol;4-phenyl-2-phenyl-1,3,5-triazine
• PubChem CID: 158121298
• Molecular Formula: C66H65Ir4N11O2-4
• Molecular Weight: 1813.19 g/mol
• Exact Mass: 1815.39
• IUPAC Name: 2-(2-bicyclo[2.2.1]heptanyl)-4-phenyl-1,3,5-triazine;4-tert-butyl-6-phenylpyrimidine;tetrakis(iridium);2-methyl-4-(3-phenylbenzene-6-id-1-yl)-1,3,5-triazine;pentane-2,4-diol;4-phenyl-2-phenyl-1,3,5-triazine
• SMILES: CC(C)(C)c1cc(-c2[c-]cccc2)ncn1.CC(O)CC(C)O.Cc1ncnc(-c2[c-]ccc(-c3ccccc3)c2)n1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ncnc(-c2ccccc2)n1.[c-]1ccccc1-c1ncnc(C2CC3CCC2C3)n1
• InChI: InChI=1S/C16H16N3.C16H12N3.C15H10N3.C14H15N2.C5H12O2.4Ir/c1-2-4-12(5-3-1)15-17-10-18-16(19-15)14-9-11-6-7-13(14)8-11;1-12-17-11-18-16(19-12)15-9-5-8-14(10-15)13-6-3-2-4-7-13;1-3-7-12(8-4-1)14-16-11-17-15(18-14)13-9-5-2-6-10-13;1-14(2,3)13-9-12(15-10-16-13)11-7-5-4-6-8-11;1-4(6)3-5(2)7;;;;/h1-4,10-11,13-14H,6-9H2;2-8,10-11H,1H3;1-9,11H;4-7,9-10H,1-3H3;4-7H,3H2,1-2H3;;;;/q4*-1
• InChIKey: VLFKUHTVNQBVCP-UHFFFAOYSA-N
• XLogP: 12.93
• TPSA: 182.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1813.19
LogP ≤ 5	12.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-4-phenyl-1,3,5-triazine;4-tert-butyl-6-phenylpyrimidine;tetrakis(iridium);2-methyl-4-(3-phenylbenzene-6-id-1-yl)-1,3,5-triazine;pentane-2,4-diol;4-phenyl-2-phenyl-1,3,5-triazine?

The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-4-phenyl-1,3,5-triazine;4-tert-butyl-6-phenylpyrimidine;tetrakis(iridium);2-methyl-4-(3-phenylbenzene-6-id-1-yl)-1,3,5-triazine;pentane-2,4-diol;4-phenyl-2-phenyl-1,3,5-triazine (CID 158121298) is 2-(2-bicyclo[2.2.1]heptanyl)-4-phenyl-1,3,5-triazine;4-tert-butyl-6-phenylpyrimidine;tetrakis(iridium);2-methyl-4-(3-phenylbenzene-6-id-1-yl)-1,3,5-triazine;pentane-2,4-diol;4-phenyl-2-phenyl-1,3,5-triazine.

What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-4-phenyl-1,3,5-triazine;4-tert-butyl-6-phenylpyrimidine;tetrakis(iridium);2-methyl-4-(3-phenylbenzene-6-id-1-yl)-1,3,5-triazine;pentane-2,4-diol;4-phenyl-2-phenyl-1,3,5-triazine?

The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-4-phenyl-1,3,5-triazine;4-tert-butyl-6-phenylpyrimidine;tetrakis(iridium);2-methyl-4-(3-phenylbenzene-6-id-1-yl)-1,3,5-triazine;pentane-2,4-diol;4-phenyl-2-phenyl-1,3,5-triazine is CC(C)(C)c1cc(-c2[c-]cccc2)ncn1.CC(O)CC(C)O.Cc1ncnc(-c2[c-]ccc(-c3ccccc3)c2)n1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ncnc(-c2ccccc2)n1.[c-]1ccccc1-c1ncnc(C2CC3CCC2C3)n1.

What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-4-phenyl-1,3,5-triazine;4-tert-butyl-6-phenylpyrimidine;tetrakis(iridium);2-methyl-4-(3-phenylbenzene-6-id-1-yl)-1,3,5-triazine;pentane-2,4-diol;4-phenyl-2-phenyl-1,3,5-triazine?

The InChIKey is VLFKUHTVNQBVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N3.C16H12N3.C15H10N3.C14H15N2.C5H12O2.4Ir/c1-2-4-12(5-3-1)15-17-10-18-16(19-15)14-9-11-6-7-13(14)8-11;1-12-17-11-18-16(19-12)15-9-5-8-14(10-15)13-6-3-2-4-7-13;1-3-7-12(8-4-1)14-16-11-17-15(18-14)13-9-5-2-6-10-13;1-14(2,3)13-9-12(15-10-16-13)11-7-5-4-6-8-11;1-4(6)3-5(2)7;;;;/h1-4,10-11,13-14H,6-9H2;2-8,10-11H,1H3;1-9,11H;4-7,9-10H,1-3H3;4-7H,3H2,1-2H3;;;;/q4*-1;;;;;.

What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-4-phenyl-1,3,5-triazine;4-tert-butyl-6-phenylpyrimidine;tetrakis(iridium);2-methyl-4-(3-phenylbenzene-6-id-1-yl)-1,3,5-triazine;pentane-2,4-diol;4-phenyl-2-phenyl-1,3,5-triazine?

2-(2-bicyclo[2.2.1]heptanyl)-4-phenyl-1,3,5-triazine;4-tert-butyl-6-phenylpyrimidine;tetrakis(iridium);2-methyl-4-(3-phenylbenzene-6-id-1-yl)-1,3,5-triazine;pentane-2,4-diol;4-phenyl-2-phenyl-1,3,5-triazine has a molecular weight of 1813.19 g/mol, XLogP of 12.93, 9 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-bicyclo[2.2.1]heptanyl)-4-phenyl-1,3,5-triazine;4-tert-butyl-6-phenylpyrimidine;tetrakis(iridium);2-methyl-4-(3-phenylbenzene-6-id-1-yl)-1,3,5-triazine;pentane-2,4-diol;4-phenyl-2-phenyl-1,3,5-triazine is sourced from PubChem (CID 158121298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).