2-(3H-dibenzoselenophen-3-id-4-yl)-4-propan-2-ylpyridine;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-methyl-2H-carbazol-2-ide;tetrakis(iridium);bis(3-phenyl-[1,2]oxazolo[4,5-c]pyridine);2-phenyl-4-pyridin-3-ylpyridine;3-[3-(4-propan-2-ylphenyl)benzene-6-id-1-yl]-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole

C127H88Ir4N15O3SSe-7 — CID 158427205

About 2-(3H-dibenzoselenophen-3-id-4-yl)-4-propan-2-ylpyridine;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-methyl-2H-carbazol-2-ide;tetrakis(iridium);bis(3-phenyl-[1,2]oxazolo[4,5-c]pyridine);2-phenyl-4-pyridin-3-ylpyridine;3-[3-(4-propan-2-ylphenyl)benzene-6-id-1-yl]-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole

2-(3H-dibenzoselenophen-3-id-4-yl)-4-propan-2-ylpyridine;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-methyl-2H-carbazol-2-ide;tetrakis(iridium);bis(3-phenyl-[1,2]oxazolo[4,5-c]pyridine);2-phenyl-4-pyridin-3-ylpyridine;3-[3-(4-propan-2-ylphenyl)benzene-6-id-1-yl]-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole (PubChem CID 158427205) has the molecular formula C127H88Ir4N15O3SSe-7 and a molecular weight of 2752.10 g/mol. Its IUPAC name is 2-(3H-dibenzoselenophen-3-id-4-yl)-4-propan-2-ylpyridine;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-methyl-2H-carbazol-2-ide;tetrakis(iridium);bis(3-phenyl-[1,2]oxazolo[4,5-c]pyridine);2-phenyl-4-pyridin-3-ylpyridine;3-[3-(4-propan-2-ylphenyl)benzene-6-id-1-yl]-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole.

Molecular Properties

• Compound Name: 2-(3H-dibenzoselenophen-3-id-4-yl)-4-propan-2-ylpyridine;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-methyl-2H-carbazol-2-ide;tetrakis(iridium);bis(3-phenyl-[1,2]oxazolo[4,5-c]pyridine);2-phenyl-4-pyridin-3-ylpyridine;3-[3-(4-propan-2-ylphenyl)benzene-6-id-1-yl]-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole
• PubChem CID: 158427205
• Molecular Formula: C127H88Ir4N15O3SSe-7
• Molecular Weight: 2752.10 g/mol
• Exact Mass: 2754.46
• IUPAC Name: 2-(3H-dibenzoselenophen-3-id-4-yl)-4-propan-2-ylpyridine;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-methyl-2H-carbazol-2-ide;tetrakis(iridium);bis(3-phenyl-[1,2]oxazolo[4,5-c]pyridine);2-phenyl-4-pyridin-3-ylpyridine;3-[3-(4-propan-2-ylphenyl)benzene-6-id-1-yl]-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole
• SMILES: CC(C)c1ccc(-c2cc[c-]c(-c3noc4ccccc34)c2)cc1.CC(C)c1ccnc(-c2[c-]ccc3c2[se]c2ccccc23)c1.Cn1c2ccccc2c2cc[c-]c(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccn3)c21.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc(-c2cccnc2)ccn1.[c-]1ccccc1-c1noc2ccncc12.[c-]1ccccc1-c1noc2ccncc12.[c-]1ncccc1-c1nsc2ccccc12
• InChI: InChI=1S/C33H22N5.C22H18NO.C20H16NSe.C16H11N2.2C12H7N2O.C12H7N2S.4Ir/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;1-15(2)16-10-12-17(13-11-16)18-6-5-7-19(14-18)22-20-8-3-4-9-21(20)24-23-22;1-13(2)14-10-11-21-18(12-14)17-8-5-7-16-15-6-3-4-9-19(15)22-20(16)17;1-2-5-13(6-3-1)16-11-14(8-10-18-16)15-7-4-9-17-12-15;2*1-2-4-9(5-3-1)12-10-8-13-7-6-11(10)15-14-12;1-2-6-11-10(5-1)12(14-15-11)9-4-3-7-13-8-9;;;;/h2-16,18-21H,1H3;3-6,8-15H,1-2H3;3-7,9-13H,1-2H3;1-5,7-12H;2*1-4,6-8H;1-7H;;;;/q7*-1
• InChIKey: KAEOGFWZXVKXQX-UHFFFAOYSA-N
• XLogP: 30.64
• TPSA: 224.81 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 14
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2752.10
LogP ≤ 5	30.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3H-dibenzoselenophen-3-id-4-yl)-4-propan-2-ylpyridine;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-methyl-2H-carbazol-2-ide;tetrakis(iridium);bis(3-phenyl-[1,2]oxazolo[4,5-c]pyridine);2-phenyl-4-pyridin-3-ylpyridine;3-[3-(4-propan-2-ylphenyl)benzene-6-id-1-yl]-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole?

The IUPAC name of 2-(3H-dibenzoselenophen-3-id-4-yl)-4-propan-2-ylpyridine;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-methyl-2H-carbazol-2-ide;tetrakis(iridium);bis(3-phenyl-[1,2]oxazolo[4,5-c]pyridine);2-phenyl-4-pyridin-3-ylpyridine;3-[3-(4-propan-2-ylphenyl)benzene-6-id-1-yl]-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole (CID 158427205) is 2-(3H-dibenzoselenophen-3-id-4-yl)-4-propan-2-ylpyridine;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-methyl-2H-carbazol-2-ide;tetrakis(iridium);bis(3-phenyl-[1,2]oxazolo[4,5-c]pyridine);2-phenyl-4-pyridin-3-ylpyridine;3-[3-(4-propan-2-ylphenyl)benzene-6-id-1-yl]-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole.

What is the SMILES notation for 2-(3H-dibenzoselenophen-3-id-4-yl)-4-propan-2-ylpyridine;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-methyl-2H-carbazol-2-ide;tetrakis(iridium);bis(3-phenyl-[1,2]oxazolo[4,5-c]pyridine);2-phenyl-4-pyridin-3-ylpyridine;3-[3-(4-propan-2-ylphenyl)benzene-6-id-1-yl]-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole?

The canonical SMILES for 2-(3H-dibenzoselenophen-3-id-4-yl)-4-propan-2-ylpyridine;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-methyl-2H-carbazol-2-ide;tetrakis(iridium);bis(3-phenyl-[1,2]oxazolo[4,5-c]pyridine);2-phenyl-4-pyridin-3-ylpyridine;3-[3-(4-propan-2-ylphenyl)benzene-6-id-1-yl]-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole is CC(C)c1ccc(-c2cc[c-]c(-c3noc4ccccc34)c2)cc1.CC(C)c1ccnc(-c2[c-]ccc3c2[se]c2ccccc23)c1.Cn1c2ccccc2c2cc[c-]c(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccn3)c21.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc(-c2cccnc2)ccn1.[c-]1ccccc1-c1noc2ccncc12.[c-]1ccccc1-c1noc2ccncc12.[c-]1ncccc1-c1nsc2ccccc12.

What is the InChIKey of 2-(3H-dibenzoselenophen-3-id-4-yl)-4-propan-2-ylpyridine;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-methyl-2H-carbazol-2-ide;tetrakis(iridium);bis(3-phenyl-[1,2]oxazolo[4,5-c]pyridine);2-phenyl-4-pyridin-3-ylpyridine;3-[3-(4-propan-2-ylphenyl)benzene-6-id-1-yl]-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole?

The InChIKey is KAEOGFWZXVKXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N5.C22H18NO.C20H16NSe.C16H11N2.2C12H7N2O.C12H7N2S.4Ir/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;1-15(2)16-10-12-17(13-11-16)18-6-5-7-19(14-18)22-20-8-3-4-9-21(20)24-23-22;1-13(2)14-10-11-21-18(12-14)17-8-5-7-16-15-6-3-4-9-19(15)22-20(16)17;1-2-5-13(6-3-1)16-11-14(8-10-18-16)15-7-4-9-17-12-15;2*1-2-4-9(5-3-1)12-10-8-13-7-6-11(10)15-14-12;1-2-6-11-10(5-1)12(14-15-11)9-4-3-7-13-8-9;;;;/h2-16,18-21H,1H3;3-6,8-15H,1-2H3;3-7,9-13H,1-2H3;1-5,7-12H;2*1-4,6-8H;1-7H;;;;/q7*-1;;;;.

What are the key properties of 2-(3H-dibenzoselenophen-3-id-4-yl)-4-propan-2-ylpyridine;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-methyl-2H-carbazol-2-ide;tetrakis(iridium);bis(3-phenyl-[1,2]oxazolo[4,5-c]pyridine);2-phenyl-4-pyridin-3-ylpyridine;3-[3-(4-propan-2-ylphenyl)benzene-6-id-1-yl]-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole?

2-(3H-dibenzoselenophen-3-id-4-yl)-4-propan-2-ylpyridine;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-methyl-2H-carbazol-2-ide;tetrakis(iridium);bis(3-phenyl-[1,2]oxazolo[4,5-c]pyridine);2-phenyl-4-pyridin-3-ylpyridine;3-[3-(4-propan-2-ylphenyl)benzene-6-id-1-yl]-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole has a molecular weight of 2752.10 g/mol, XLogP of 30.64, 14 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3H-dibenzoselenophen-3-id-4-yl)-4-propan-2-ylpyridine;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-methyl-2H-carbazol-2-ide;tetrakis(iridium);bis(3-phenyl-[1,2]oxazolo[4,5-c]pyridine);2-phenyl-4-pyridin-3-ylpyridine;3-[3-(4-propan-2-ylphenyl)benzene-6-id-1-yl]-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole is sourced from PubChem (CID 158427205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).