2,4-diphenyl-6-(2-phenyl-4-pyridinyl)-1,3,5-triazine;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-methyl-2H-carbazol-2-ide;2-(1,9-dipyridin-2-yl-2H-fluoren-2-id-9-yl)pyridine;pentakis(iridium);3-(3H-isoquinolin-3-id-4-yl)-1,2-benzothiazole;3-(3H-isoquinolin-3-id-4-yl)-1,2-benzoxazole;3-phenyl-1,2-benzothiazole;3-phenyl-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole

C157H98Ir5N20O3S2-8 — CID 162174094

About 2,4-diphenyl-6-(2-phenyl-4-pyridinyl)-1,3,5-triazine;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-methyl-2H-carbazol-2-ide;2-(1,9-dipyridin-2-yl-2H-fluoren-2-id-9-yl)pyridine;pentakis(iridium);3-(3H-isoquinolin-3-id-4-yl)-1,2-benzothiazole;3-(3H-isoquinolin-3-id-4-yl)-1,2-benzoxazole;3-phenyl-1,2-benzothiazole;3-phenyl-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole

2,4-diphenyl-6-(2-phenyl-4-pyridinyl)-1,3,5-triazine;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-methyl-2H-carbazol-2-ide;2-(1,9-dipyridin-2-yl-2H-fluoren-2-id-9-yl)pyridine;pentakis(iridium);3-(3H-isoquinolin-3-id-4-yl)-1,2-benzothiazole;3-(3H-isoquinolin-3-id-4-yl)-1,2-benzoxazole;3-phenyl-1,2-benzothiazole;3-phenyl-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole (PubChem CID 162174094) has the molecular formula C157H98Ir5N20O3S2-8 and a molecular weight of 3337.87 g/mol. Its IUPAC name is 2,4-diphenyl-6-(2-phenyl-4-pyridinyl)-1,3,5-triazine;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-methyl-2H-carbazol-2-ide;2-(1,9-dipyridin-2-yl-2H-fluoren-2-id-9-yl)pyridine;pentakis(iridium);3-(3H-isoquinolin-3-id-4-yl)-1,2-benzothiazole;3-(3H-isoquinolin-3-id-4-yl)-1,2-benzoxazole;3-phenyl-1,2-benzothiazole;3-phenyl-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole.

Molecular Properties

• Compound Name: 2,4-diphenyl-6-(2-phenyl-4-pyridinyl)-1,3,5-triazine;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-methyl-2H-carbazol-2-ide;2-(1,9-dipyridin-2-yl-2H-fluoren-2-id-9-yl)pyridine;pentakis(iridium);3-(3H-isoquinolin-3-id-4-yl)-1,2-benzothiazole;3-(3H-isoquinolin-3-id-4-yl)-1,2-benzoxazole;3-phenyl-1,2-benzothiazole;3-phenyl-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole
• PubChem CID: 162174094
• Molecular Formula: C157H98Ir5N20O3S2-8
• Molecular Weight: 3337.87 g/mol
• Exact Mass: 3339.58
• IUPAC Name: 2,4-diphenyl-6-(2-phenyl-4-pyridinyl)-1,3,5-triazine;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-methyl-2H-carbazol-2-ide;2-(1,9-dipyridin-2-yl-2H-fluoren-2-id-9-yl)pyridine;pentakis(iridium);3-(3H-isoquinolin-3-id-4-yl)-1,2-benzothiazole;3-(3H-isoquinolin-3-id-4-yl)-1,2-benzoxazole;3-phenyl-1,2-benzothiazole;3-phenyl-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole
• SMILES: Cn1c2ccccc2c2cc[c-]c(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccn3)c21.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1ccccn1)C(c1ccccn1)(c1ccccn1)c1ccccc1-2.[c-]1ccccc1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccn1.[c-]1ccccc1-c1noc2ccccc12.[c-]1ccccc1-c1nsc2ccccc12.[c-]1ncc2ccccc2c1-c1noc2ccccc12.[c-]1ncc2ccccc2c1-c1nsc2ccccc12.[c-]1ncccc1-c1noc2ccccc12
• InChI: InChI=1S/C33H22N5.C28H18N3.C26H17N4.C16H9N2O.C16H9N2S.C13H8NO.C13H8NS.C12H7N2O.5Ir/c1-38-29-18-9-8-15-25(29)26-16-10-17-27(30(26)38)28-21-24(19-20-34-28)33-36-31(22-11-4-2-5-12-22)35-32(37-33)23-13-6-3-7-14-23;1-2-13-23-20(10-1)21-11-9-12-22(24-14-3-6-17-29-24)27(21)28(23,25-15-4-7-18-30-25)26-16-5-8-19-31-26;1-4-10-19(11-5-1)23-18-22(16-17-27-23)26-29-24(20-12-6-2-7-13-20)28-25(30-26)21-14-8-3-9-15-21;2*1-2-6-12-11(5-1)9-17-10-14(12)16-13-7-3-4-8-15(13)19-18-16;2*1-2-6-10(7-3-1)13-11-8-4-5-9-12(11)15-14-13;1-2-6-11-10(5-1)12(14-15-11)9-4-3-7-13-8-9;;;;;/h2-16,18-21H,1H3;1-11,13-19H;1-10,12-18H;2*1-9H;2*1-6,8-9H;1-7H;;;;;/q8*-1
• InChIKey: GKYUVZXGEXURLG-UHFFFAOYSA-N
• XLogP: 36.71
• TPSA: 289.26 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 16
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3337.87
LogP ≤ 5	36.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-(2-phenyl-4-pyridinyl)-1,3,5-triazine;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-methyl-2H-carbazol-2-ide;2-(1,9-dipyridin-2-yl-2H-fluoren-2-id-9-yl)pyridine;pentakis(iridium);3-(3H-isoquinolin-3-id-4-yl)-1,2-benzothiazole;3-(3H-isoquinolin-3-id-4-yl)-1,2-benzoxazole;3-phenyl-1,2-benzothiazole;3-phenyl-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole?

The IUPAC name of 2,4-diphenyl-6-(2-phenyl-4-pyridinyl)-1,3,5-triazine;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-methyl-2H-carbazol-2-ide;2-(1,9-dipyridin-2-yl-2H-fluoren-2-id-9-yl)pyridine;pentakis(iridium);3-(3H-isoquinolin-3-id-4-yl)-1,2-benzothiazole;3-(3H-isoquinolin-3-id-4-yl)-1,2-benzoxazole;3-phenyl-1,2-benzothiazole;3-phenyl-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole (CID 162174094) is 2,4-diphenyl-6-(2-phenyl-4-pyridinyl)-1,3,5-triazine;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-methyl-2H-carbazol-2-ide;2-(1,9-dipyridin-2-yl-2H-fluoren-2-id-9-yl)pyridine;pentakis(iridium);3-(3H-isoquinolin-3-id-4-yl)-1,2-benzothiazole;3-(3H-isoquinolin-3-id-4-yl)-1,2-benzoxazole;3-phenyl-1,2-benzothiazole;3-phenyl-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole.

What is the SMILES notation for 2,4-diphenyl-6-(2-phenyl-4-pyridinyl)-1,3,5-triazine;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-methyl-2H-carbazol-2-ide;2-(1,9-dipyridin-2-yl-2H-fluoren-2-id-9-yl)pyridine;pentakis(iridium);3-(3H-isoquinolin-3-id-4-yl)-1,2-benzothiazole;3-(3H-isoquinolin-3-id-4-yl)-1,2-benzoxazole;3-phenyl-1,2-benzothiazole;3-phenyl-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole?

The canonical SMILES for 2,4-diphenyl-6-(2-phenyl-4-pyridinyl)-1,3,5-triazine;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-methyl-2H-carbazol-2-ide;2-(1,9-dipyridin-2-yl-2H-fluoren-2-id-9-yl)pyridine;pentakis(iridium);3-(3H-isoquinolin-3-id-4-yl)-1,2-benzothiazole;3-(3H-isoquinolin-3-id-4-yl)-1,2-benzoxazole;3-phenyl-1,2-benzothiazole;3-phenyl-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole is Cn1c2ccccc2c2cc[c-]c(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccn3)c21.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1ccccn1)C(c1ccccn1)(c1ccccn1)c1ccccc1-2.[c-]1ccccc1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccn1.[c-]1ccccc1-c1noc2ccccc12.[c-]1ccccc1-c1nsc2ccccc12.[c-]1ncc2ccccc2c1-c1noc2ccccc12.[c-]1ncc2ccccc2c1-c1nsc2ccccc12.[c-]1ncccc1-c1noc2ccccc12.

What is the InChIKey of 2,4-diphenyl-6-(2-phenyl-4-pyridinyl)-1,3,5-triazine;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-methyl-2H-carbazol-2-ide;2-(1,9-dipyridin-2-yl-2H-fluoren-2-id-9-yl)pyridine;pentakis(iridium);3-(3H-isoquinolin-3-id-4-yl)-1,2-benzothiazole;3-(3H-isoquinolin-3-id-4-yl)-1,2-benzoxazole;3-phenyl-1,2-benzothiazole;3-phenyl-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole?

The InChIKey is GKYUVZXGEXURLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N5.C28H18N3.C26H17N4.C16H9N2O.C16H9N2S.C13H8NO.C13H8NS.C12H7N2O.5Ir/c1-38-29-18-9-8-15-25(29)26-16-10-17-27(30(26)38)28-21-24(19-20-34-28)33-36-31(22-11-4-2-5-12-22)35-32(37-33)23-13-6-3-7-14-23;1-2-13-23-20(10-1)21-11-9-12-22(24-14-3-6-17-29-24)27(21)28(23,25-15-4-7-18-30-25)26-16-5-8-19-31-26;1-4-10-19(11-5-1)23-18-22(16-17-27-23)26-29-24(20-12-6-2-7-13-20)28-25(30-26)21-14-8-3-9-15-21;2*1-2-6-12-11(5-1)9-17-10-14(12)16-13-7-3-4-8-15(13)19-18-16;2*1-2-6-10(7-3-1)13-11-8-4-5-9-12(11)15-14-13;1-2-6-11-10(5-1)12(14-15-11)9-4-3-7-13-8-9;;;;;/h2-16,18-21H,1H3;1-11,13-19H;1-10,12-18H;2*1-9H;2*1-6,8-9H;1-7H;;;;;/q8*-1;;;;;.

What are the key properties of 2,4-diphenyl-6-(2-phenyl-4-pyridinyl)-1,3,5-triazine;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-methyl-2H-carbazol-2-ide;2-(1,9-dipyridin-2-yl-2H-fluoren-2-id-9-yl)pyridine;pentakis(iridium);3-(3H-isoquinolin-3-id-4-yl)-1,2-benzothiazole;3-(3H-isoquinolin-3-id-4-yl)-1,2-benzoxazole;3-phenyl-1,2-benzothiazole;3-phenyl-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole?

2,4-diphenyl-6-(2-phenyl-4-pyridinyl)-1,3,5-triazine;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-methyl-2H-carbazol-2-ide;2-(1,9-dipyridin-2-yl-2H-fluoren-2-id-9-yl)pyridine;pentakis(iridium);3-(3H-isoquinolin-3-id-4-yl)-1,2-benzothiazole;3-(3H-isoquinolin-3-id-4-yl)-1,2-benzoxazole;3-phenyl-1,2-benzothiazole;3-phenyl-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole has a molecular weight of 3337.87 g/mol, XLogP of 36.71, 16 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-diphenyl-6-(2-phenyl-4-pyridinyl)-1,3,5-triazine;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-methyl-2H-carbazol-2-ide;2-(1,9-dipyridin-2-yl-2H-fluoren-2-id-9-yl)pyridine;pentakis(iridium);3-(3H-isoquinolin-3-id-4-yl)-1,2-benzothiazole;3-(3H-isoquinolin-3-id-4-yl)-1,2-benzoxazole;3-phenyl-1,2-benzothiazole;3-phenyl-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole is sourced from PubChem (CID 162174094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).