5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;2-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenanthren-9-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;iridium(3+);2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine)

C225H150IrN19O — CID 157113429

About 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;2-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenanthren-9-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;iridium(3+);2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine)

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;2-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenanthren-9-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;iridium(3+);2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine) (PubChem CID 157113429) has the molecular formula C225H150IrN19O and a molecular weight of 3328.02 g/mol. Its IUPAC name is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;2-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenanthren-9-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;iridium(3+);2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine).

Molecular Properties

• Compound Name: 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;2-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenanthren-9-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;iridium(3+);2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine)
• PubChem CID: 157113429
• Molecular Formula: C225H150IrN19O
• Molecular Weight: 3328.02 g/mol
• Exact Mass: 3326.19
• IUPAC Name: 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;2-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenanthren-9-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;iridium(3+);2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine)
• SMILES: CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc21.[Ir+3].[c-]1ccc(-c2ccccc2)cc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4c(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c5ccccc5c5ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5ccc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)cc5c4)cc3)n2)cc1.c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccc6oc7ccccc7c6c5)c5ccccc45)cc3)ccc2c1
• InChI: InChI=1S/C56H36N6.C52H34N6.C42H26O.C36H26N4.C17H12N.2C11H8N.Ir/c1-5-18-38(19-6-1)51-57-52(39-20-7-2-8-21-39)60-55(59-51)42-34-32-37(33-35-42)49-47-30-15-13-28-45(47)46-29-14-16-31-48(46)50(49)43-26-17-27-44(36-43)56-61-53(40-22-9-3-10-23-40)58-54(62-56)41-24-11-4-12-25-41;1-5-13-38(14-6-1)47-53-48(39-15-7-2-8-16-39)56-51(55-47)42-27-21-35(22-28-42)44-31-25-37-26-32-45(34-46(37)33-44)36-23-29-43(30-24-36)52-57-49(40-17-9-3-10-18-40)54-50(58-52)41-19-11-4-12-20-41;1-2-10-30-25-31(22-19-27(30)9-1)28-17-20-29(21-18-28)41-34-12-3-5-14-36(34)42(37-15-6-4-13-35(37)41)32-23-24-40-38(26-32)33-11-7-8-16-39(33)43-40;1-36(2)29-19-11-9-17-25(29)27-21-28-26-18-10-12-20-31(26)40(32(28)22-30(27)36)35-38-33(23-13-5-3-6-14-23)37-34(39-35)24-15-7-4-8-16-24;1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-36H;1-34H;1-26H;3-22H,1-2H3;1-9,11-13H;2*1-6,8-9H;/q;;;;3*-1;+3
• InChIKey: HRKDWNHTISIUCM-UHFFFAOYSA-N
• XLogP: 56.21
• TPSA: 250.09 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 26
• Heavy Atoms: 246
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3328.02
LogP ≤ 5	56.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;2-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenanthren-9-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;iridium(3+);2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine)?

The IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;2-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenanthren-9-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;iridium(3+);2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine) (CID 157113429) is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;2-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenanthren-9-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;iridium(3+);2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine).

What is the SMILES notation for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;2-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenanthren-9-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;iridium(3+);2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine)?

The canonical SMILES for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;2-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenanthren-9-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;iridium(3+);2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine) is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc21.[Ir+3].[c-]1ccc(-c2ccccc2)cc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4c(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c5ccccc5c5ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5ccc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)cc5c4)cc3)n2)cc1.c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccc6oc7ccccc7c6c5)c5ccccc45)cc3)ccc2c1.

What is the InChIKey of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;2-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenanthren-9-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;iridium(3+);2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine)?

The InChIKey is HRKDWNHTISIUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N6.C52H34N6.C42H26O.C36H26N4.C17H12N.2C11H8N.Ir/c1-5-18-38(19-6-1)51-57-52(39-20-7-2-8-21-39)60-55(59-51)42-34-32-37(33-35-42)49-47-30-15-13-28-45(47)46-29-14-16-31-48(46)50(49)43-26-17-27-44(36-43)56-61-53(40-22-9-3-10-23-40)58-54(62-56)41-24-11-4-12-25-41;1-5-13-38(14-6-1)47-53-48(39-15-7-2-8-16-39)56-51(55-47)42-27-21-35(22-28-42)44-31-25-37-26-32-45(34-46(37)33-44)36-23-29-43(30-24-36)52-57-49(40-17-9-3-10-18-40)54-50(58-52)41-19-11-4-12-20-41;1-2-10-30-25-31(22-19-27(30)9-1)28-17-20-29(21-18-28)41-34-12-3-5-14-36(34)42(37-15-6-4-13-35(37)41)32-23-24-40-38(26-32)33-11-7-8-16-39(33)43-40;1-36(2)29-19-11-9-17-25(29)27-21-28-26-18-10-12-20-31(26)40(32(28)22-30(27)36)35-38-33(23-13-5-3-6-14-23)37-34(39-35)24-15-7-4-8-16-24;1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-36H;1-34H;1-26H;3-22H,1-2H3;1-9,11-13H;2*1-6,8-9H;/q;;;;3*-1;+3.

What are the key properties of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;2-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenanthren-9-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;iridium(3+);2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine)?

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;2-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenanthren-9-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;iridium(3+);2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine) has a molecular weight of 3328.02 g/mol, XLogP of 56.21, 26 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;2-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenanthren-9-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;iridium(3+);2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine) is sourced from PubChem (CID 157113429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).