2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;tetrakis(iridium);bis(3-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline);pyridine-2-carboxylic acid;bis(2-(3H-thiophen-3-id-2-yl)pyridine)

C131H84F13Ir4N8O2S2-7 — CID 158037990

About 2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;tetrakis(iridium);bis(3-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline);pyridine-2-carboxylic acid;bis(2-(3H-thiophen-3-id-2-yl)pyridine)

2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;tetrakis(iridium);bis(3-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline);pyridine-2-carboxylic acid;bis(2-(3H-thiophen-3-id-2-yl)pyridine) (PubChem CID 158037990) has the molecular formula C131H84F13Ir4N8O2S2-7 and a molecular weight of 2882.14 g/mol. Its IUPAC name is 2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;tetrakis(iridium);bis(3-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline);pyridine-2-carboxylic acid;bis(2-(3H-thiophen-3-id-2-yl)pyridine).

Molecular Properties

• Compound Name: 2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;tetrakis(iridium);bis(3-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline);pyridine-2-carboxylic acid;bis(2-(3H-thiophen-3-id-2-yl)pyridine)
• PubChem CID: 158037990
• Molecular Formula: C131H84F13Ir4N8O2S2-7
• Molecular Weight: 2882.14 g/mol
• Exact Mass: 2883.45
• IUPAC Name: 2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;tetrakis(iridium);bis(3-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline);pyridine-2-carboxylic acid;bis(2-(3H-thiophen-3-id-2-yl)pyridine)
• SMILES: CC1(C(F)(F)F)c2ccccc2-c2c[c-]c(-c3cc4ccccc4cn3)cc21.CC1(C(F)(F)F)c2ccccc2-c2c[c-]c(-c3cc4ccccc4cn3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3cc4ccccc4cn3)cc21.FC(F)(F)C1(C(F)(F)F)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.Fc1c[c-]c(-c2ccccn2)cc1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[c-]1ccsc1-c1ccccn1.[c-]1ccsc1-c1ccccn1
• InChI: InChI=1S/C24H12F6N.2C24H15F3N.C24H18N.C11H7FN.2C9H6NS.C6H5NO2.4Ir/c25-23(26,27)22(24(28,29)30)18-7-3-2-6-16(18)17-11-9-15(13-19(17)22)21-12-10-14-5-1-4-8-20(14)31-21;2*1-23(24(25,26)27)20-9-5-4-8-18(20)19-11-10-16(12-21(19)23)22-13-15-6-2-3-7-17(15)14-28-22;1-24(2)21-10-6-5-9-19(21)20-12-11-17(13-22(20)24)23-14-16-7-3-4-8-18(16)15-25-23;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;2*1-2-6-10-8(4-1)9-5-3-7-11-9;8-6(9)5-3-1-2-4-7-5;;;;/h1-8,10-13H;2*2-9,11-14H,1H3;3-10,12-15H,1-2H3;1-4,6-8H;2*1-4,6-7H;1-4H,(H,8,9);;;;/q7*-1
• InChIKey: POHIBXKBVHXQHX-UHFFFAOYSA-N
• XLogP: 34.88
• TPSA: 140.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2882.14
LogP ≤ 5	34.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;tetrakis(iridium);bis(3-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline);pyridine-2-carboxylic acid;bis(2-(3H-thiophen-3-id-2-yl)pyridine)?

The IUPAC name of 2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;tetrakis(iridium);bis(3-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline);pyridine-2-carboxylic acid;bis(2-(3H-thiophen-3-id-2-yl)pyridine) (CID 158037990) is 2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;tetrakis(iridium);bis(3-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline);pyridine-2-carboxylic acid;bis(2-(3H-thiophen-3-id-2-yl)pyridine).

What is the SMILES notation for 2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;tetrakis(iridium);bis(3-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline);pyridine-2-carboxylic acid;bis(2-(3H-thiophen-3-id-2-yl)pyridine)?

The canonical SMILES for 2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;tetrakis(iridium);bis(3-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline);pyridine-2-carboxylic acid;bis(2-(3H-thiophen-3-id-2-yl)pyridine) is CC1(C(F)(F)F)c2ccccc2-c2c[c-]c(-c3cc4ccccc4cn3)cc21.CC1(C(F)(F)F)c2ccccc2-c2c[c-]c(-c3cc4ccccc4cn3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3cc4ccccc4cn3)cc21.FC(F)(F)C1(C(F)(F)F)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.Fc1c[c-]c(-c2ccccn2)cc1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[c-]1ccsc1-c1ccccn1.[c-]1ccsc1-c1ccccn1.

What is the InChIKey of 2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;tetrakis(iridium);bis(3-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline);pyridine-2-carboxylic acid;bis(2-(3H-thiophen-3-id-2-yl)pyridine)?

The InChIKey is POHIBXKBVHXQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12F6N.2C24H15F3N.C24H18N.C11H7FN.2C9H6NS.C6H5NO2.4Ir/c25-23(26,27)22(24(28,29)30)18-7-3-2-6-16(18)17-11-9-15(13-19(17)22)21-12-10-14-5-1-4-8-20(14)31-21;2*1-23(24(25,26)27)20-9-5-4-8-18(20)19-11-10-16(12-21(19)23)22-13-15-6-2-3-7-17(15)14-28-22;1-24(2)21-10-6-5-9-19(21)20-12-11-17(13-22(20)24)23-14-16-7-3-4-8-18(16)15-25-23;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;2*1-2-6-10-8(4-1)9-5-3-7-11-9;8-6(9)5-3-1-2-4-7-5;;;;/h1-8,10-13H;2*2-9,11-14H,1H3;3-10,12-15H,1-2H3;1-4,6-8H;2*1-4,6-7H;1-4H,(H,8,9);;;;/q7*-1;;;;;.

What are the key properties of 2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;tetrakis(iridium);bis(3-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline);pyridine-2-carboxylic acid;bis(2-(3H-thiophen-3-id-2-yl)pyridine)?

2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;tetrakis(iridium);bis(3-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline);pyridine-2-carboxylic acid;bis(2-(3H-thiophen-3-id-2-yl)pyridine) has a molecular weight of 2882.14 g/mol, XLogP of 34.88, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;tetrakis(iridium);bis(3-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline);pyridine-2-carboxylic acid;bis(2-(3H-thiophen-3-id-2-yl)pyridine) is sourced from PubChem (CID 158037990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).