9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;2,6-difluoro-3-[6-[2-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;4-hydroxypent-3-en-2-one;iridium;2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;2-phenylquinoline;platinum;platinum(2+)

C103H77F5IrN10O2Pt2-2 — CID 159078901

About 9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;2,6-difluoro-3-[6-[2-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;4-hydroxypent-3-en-2-one;iridium;2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;2-phenylquinoline;platinum;platinum(2+)

9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;2,6-difluoro-3-[6-[2-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;4-hydroxypent-3-en-2-one;iridium;2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;2-phenylquinoline;platinum;platinum(2+) (PubChem CID 159078901) has the molecular formula C103H77F5IrN10O2Pt2-2 and a molecular weight of 2164.18 g/mol. Its IUPAC name is 9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;2,6-difluoro-3-[6-[2-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;4-hydroxypent-3-en-2-one;iridium;2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;2-phenylquinoline;platinum;platinum(2+).

Molecular Properties

• Compound Name: 9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;2,6-difluoro-3-[6-[2-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;4-hydroxypent-3-en-2-one;iridium;2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;2-phenylquinoline;platinum;platinum(2+)
• PubChem CID: 159078901
• Molecular Formula: C103H77F5IrN10O2Pt2-2
• Molecular Weight: 2164.18 g/mol
• Exact Mass: 2163.51
• IUPAC Name: 9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;2,6-difluoro-3-[6-[2-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;4-hydroxypent-3-en-2-one;iridium;2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;2-phenylquinoline;platinum;platinum(2+)
• SMILES: CC(=O)C=C(C)O.CC(C)(c1cccc(-c2[c-]cc(F)nc2F)n1)c1cccc(-n2cc(C(F)(F)F)cn2)n1.CC(C)(c1cccc(-c2[c-]cccc2)n1)c1cccc(-c2[c-]cccc2)n1.[Ir].[Pt+2].[Pt].[c-]1ccccc1-c1ccc2ccccc2n1.c1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-n2c3ccccc3c3ccccc32)c1
• InChI: InChI=1S/C36H24N2.C25H20N2.C22H15F5N5.C15H10N.C5H8O2.Ir.2Pt/c1-5-19-33-29(15-1)30-16-2-6-20-34(30)37(33)27-13-9-11-25(23-27)26-12-10-14-28(24-26)38-35-21-7-3-17-31(35)32-18-4-8-22-36(32)38;1-25(2,23-17-9-15-21(26-23)19-11-5-3-6-12-19)24-18-10-16-22(27-24)20-13-7-4-8-14-20;1-21(2,16-6-3-5-15(29-16)14-9-10-18(23)31-20(14)24)17-7-4-8-19(30-17)32-12-13(11-28-32)22(25,26)27;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;1-4(6)3-5(2)7;;;/h1-24H;3-11,13,15-18H,1-2H3;3-8,10-12H,1-2H3;1-6,8-11H;3,6H,1-2H3;;;/q;-2;2*-1;;;;+2
• InChIKey: YJVYYYRFIYBVLG-UHFFFAOYSA-N
• XLogP: 25.16
• TPSA: 142.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2164.18
LogP ≤ 5	25.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;2,6-difluoro-3-[6-[2-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;4-hydroxypent-3-en-2-one;iridium;2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;2-phenylquinoline;platinum;platinum(2+)?

The IUPAC name of 9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;2,6-difluoro-3-[6-[2-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;4-hydroxypent-3-en-2-one;iridium;2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;2-phenylquinoline;platinum;platinum(2+) (CID 159078901) is 9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;2,6-difluoro-3-[6-[2-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;4-hydroxypent-3-en-2-one;iridium;2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;2-phenylquinoline;platinum;platinum(2+).

What is the SMILES notation for 9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;2,6-difluoro-3-[6-[2-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;4-hydroxypent-3-en-2-one;iridium;2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;2-phenylquinoline;platinum;platinum(2+)?

The canonical SMILES for 9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;2,6-difluoro-3-[6-[2-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;4-hydroxypent-3-en-2-one;iridium;2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;2-phenylquinoline;platinum;platinum(2+) is CC(=O)C=C(C)O.CC(C)(c1cccc(-c2[c-]cc(F)nc2F)n1)c1cccc(-n2cc(C(F)(F)F)cn2)n1.CC(C)(c1cccc(-c2[c-]cccc2)n1)c1cccc(-c2[c-]cccc2)n1.[Ir].[Pt+2].[Pt].[c-]1ccccc1-c1ccc2ccccc2n1.c1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-n2c3ccccc3c3ccccc32)c1.

What is the InChIKey of 9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;2,6-difluoro-3-[6-[2-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;4-hydroxypent-3-en-2-one;iridium;2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;2-phenylquinoline;platinum;platinum(2+)?

The InChIKey is YJVYYYRFIYBVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2.C25H20N2.C22H15F5N5.C15H10N.C5H8O2.Ir.2Pt/c1-5-19-33-29(15-1)30-16-2-6-20-34(30)37(33)27-13-9-11-25(23-27)26-12-10-14-28(24-26)38-35-21-7-3-17-31(35)32-18-4-8-22-36(32)38;1-25(2,23-17-9-15-21(26-23)19-11-5-3-6-12-19)24-18-10-16-22(27-24)20-13-7-4-8-14-20;1-21(2,16-6-3-5-15(29-16)14-9-10-18(23)31-20(14)24)17-7-4-8-19(30-17)32-12-13(11-28-32)22(25,26)27;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;1-4(6)3-5(2)7;;;/h1-24H;3-11,13,15-18H,1-2H3;3-8,10-12H,1-2H3;1-6,8-11H;3,6H,1-2H3;;;/q;-2;2*-1;;;;+2.

What are the key properties of 9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;2,6-difluoro-3-[6-[2-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;4-hydroxypent-3-en-2-one;iridium;2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;2-phenylquinoline;platinum;platinum(2+)?

9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;2,6-difluoro-3-[6-[2-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;4-hydroxypent-3-en-2-one;iridium;2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;2-phenylquinoline;platinum;platinum(2+) has a molecular weight of 2164.18 g/mol, XLogP of 25.16, 13 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;2,6-difluoro-3-[6-[2-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;4-hydroxypent-3-en-2-one;iridium;2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;2-phenylquinoline;platinum;platinum(2+) is sourced from PubChem (CID 159078901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).