10H-benzo[h]quinolin-10-ide;2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;tris(iridium);tris(pentane-2,4-diol);2-(phenylmethyl)pyridine;bis(2-phenylpyridine);bis(pyridine-2-carboxylic acid);tris(rhodium)

C₉₉H₉₂F₁₀Ir₃N₈O₁₀Rh₃-6 — CID 159535100

About 10H-benzo[h]quinolin-10-ide;2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;tris(iridium);tris(pentane-2,4-diol);2-(phenylmethyl)pyridine;bis(2-phenylpyridine);bis(pyridine-2-carboxylic acid);tris(rhodium)

10H-benzo[h]quinolin-10-ide;2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;tris(iridium);tris(pentane-2,4-diol);2-(phenylmethyl)pyridine;bis(2-phenylpyridine);bis(pyridine-2-carboxylic acid);tris(rhodium) (PubChem CID 159535100) has the molecular formula C₉₉H₉₂F₁₀Ir₃N₈O₁₀Rh₃-6 and a molecular weight of 2629.22 g/mol. Its IUPAC name is 10H-benzo[h]quinolin-10-ide;2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;tris(iridium);tris(pentane-2,4-diol);2-(phenylmethyl)pyridine;bis(2-phenylpyridine);bis(pyridine-2-carboxylic acid);tris(rhodium).

Molecular Properties

• Compound Name: 10H-benzo[h]quinolin-10-ide;2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;tris(iridium);tris(pentane-2,4-diol);2-(phenylmethyl)pyridine;bis(2-phenylpyridine);bis(pyridine-2-carboxylic acid);tris(rhodium)
• PubChem CID: 159535100
• Molecular Formula: C₉₉H₉₂F₁₀Ir₃N₈O₁₀Rh₃-6
• Molecular Weight: 2629.22 g/mol
• Exact Mass: 2630.29
• IUPAC Name: 10H-benzo[h]quinolin-10-ide;2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;tris(iridium);tris(pentane-2,4-diol);2-(phenylmethyl)pyridine;bis(2-phenylpyridine);bis(pyridine-2-carboxylic acid);tris(rhodium)
• SMILES: CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.FC(F)(F)c1[c-]c(-c2ccccn2)cc(C(F)(F)F)c1.Fc1c[c-]c(-c2ccc(C(F)(F)F)cn2)cc1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Rh].[Rh].[Rh].[c-]1cccc2ccc3cccnc3c12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1Cc1ccccn1
• InChI: InChI=1S/C13H6F6N.C13H8N.C12H6F4N.C12H10N.2C11H8N.2C6H5NO2.3C5H12O2.3Ir.3Rh/c14-12(15,16)9-5-8(11-3-1-2-4-20-11)6-10(7-9)13(17,18)19;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;13-10-4-1-8(2-5-10)11-6-3-9(7-17-11)12(14,15)16;1-2-6-11(7-3-1)10-12-8-4-5-9-13-12;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*8-6(9)5-3-1-2-4-7-5;3*1-4(6)3-5(2)7;;;;;;/h1-5,7H;1-5,7-9H;1,3-7H;1-6,8-9H,10H2;2*1-6,8-9H;2*1-4H,(H,8,9);3*4-7H,3H2,1-2H3;;;;;;/q6*-1
• InChIKey: ZTKKHARTAIFILQ-UHFFFAOYSA-N
• XLogP: 21.01
• TPSA: 299.10 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2629.22
LogP ≤ 5	21.01
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10H-benzo[h]quinolin-10-ide;2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;tris(iridium);tris(pentane-2,4-diol);2-(phenylmethyl)pyridine;bis(2-phenylpyridine);bis(pyridine-2-carboxylic acid);tris(rhodium)?

The IUPAC name of 10H-benzo[h]quinolin-10-ide;2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;tris(iridium);tris(pentane-2,4-diol);2-(phenylmethyl)pyridine;bis(2-phenylpyridine);bis(pyridine-2-carboxylic acid);tris(rhodium) (CID 159535100) is 10H-benzo[h]quinolin-10-ide;2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;tris(iridium);tris(pentane-2,4-diol);2-(phenylmethyl)pyridine;bis(2-phenylpyridine);bis(pyridine-2-carboxylic acid);tris(rhodium).

What is the SMILES notation for 10H-benzo[h]quinolin-10-ide;2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;tris(iridium);tris(pentane-2,4-diol);2-(phenylmethyl)pyridine;bis(2-phenylpyridine);bis(pyridine-2-carboxylic acid);tris(rhodium)?

The canonical SMILES for 10H-benzo[h]quinolin-10-ide;2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;tris(iridium);tris(pentane-2,4-diol);2-(phenylmethyl)pyridine;bis(2-phenylpyridine);bis(pyridine-2-carboxylic acid);tris(rhodium) is CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.FC(F)(F)c1[c-]c(-c2ccccn2)cc(C(F)(F)F)c1.Fc1c[c-]c(-c2ccc(C(F)(F)F)cn2)cc1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Rh].[Rh].[Rh].[c-]1cccc2ccc3cccnc3c12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1Cc1ccccn1.

What is the InChIKey of 10H-benzo[h]quinolin-10-ide;2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;tris(iridium);tris(pentane-2,4-diol);2-(phenylmethyl)pyridine;bis(2-phenylpyridine);bis(pyridine-2-carboxylic acid);tris(rhodium)?

The InChIKey is ZTKKHARTAIFILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F6N.C13H8N.C12H6F4N.C12H10N.2C11H8N.2C6H5NO2.3C5H12O2.3Ir.3Rh/c14-12(15,16)9-5-8(11-3-1-2-4-20-11)6-10(7-9)13(17,18)19;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;13-10-4-1-8(2-5-10)11-6-3-9(7-17-11)12(14,15)16;1-2-6-11(7-3-1)10-12-8-4-5-9-13-12;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*8-6(9)5-3-1-2-4-7-5;3*1-4(6)3-5(2)7;;;;;;/h1-5,7H;1-5,7-9H;1,3-7H;1-6,8-9H,10H2;2*1-6,8-9H;2*1-4H,(H,8,9);3*4-7H,3H2,1-2H3;;;;;;/q6*-1;;;;;;;;;;;.

What are the key properties of 10H-benzo[h]quinolin-10-ide;2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;tris(iridium);tris(pentane-2,4-diol);2-(phenylmethyl)pyridine;bis(2-phenylpyridine);bis(pyridine-2-carboxylic acid);tris(rhodium)?

10H-benzo[h]quinolin-10-ide;2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;tris(iridium);tris(pentane-2,4-diol);2-(phenylmethyl)pyridine;bis(2-phenylpyridine);bis(pyridine-2-carboxylic acid);tris(rhodium) has a molecular weight of 2629.22 g/mol, XLogP of 21.01, 14 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 10H-benzo[h]quinolin-10-ide;2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;tris(iridium);tris(pentane-2,4-diol);2-(phenylmethyl)pyridine;bis(2-phenylpyridine);bis(pyridine-2-carboxylic acid);tris(rhodium) is sourced from PubChem (CID 159535100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159535100 — identifiers, structure, computed properties (public domain)

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