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

C141H135F6Ir3N12O14Rh6S-9 — CID 159282462

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

10H-benzo[h]quinolin-10-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;tris(iridium);tetrakis(pentane-2,4-diol);2-(phenylmethyl)pyridine;tris(2-phenylpyridine);tris(pyridine-2-carboxylic acid);hexakis(rhodium);2-(3H-thiophen-3-id-2-yl)pyridine (PubChem CID 159282462) has the molecular formula C141H135F6Ir3N12O14Rh6S-9 and a molecular weight of 3561.84 g/mol. Its IUPAC name is 10H-benzo[h]quinolin-10-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;tris(iridium);tetrakis(pentane-2,4-diol);2-(phenylmethyl)pyridine;tris(2-phenylpyridine);tris(pyridine-2-carboxylic acid);hexakis(rhodium);2-(3H-thiophen-3-id-2-yl)pyridine.

Molecular Properties

• Compound Name: 10H-benzo[h]quinolin-10-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;tris(iridium);tetrakis(pentane-2,4-diol);2-(phenylmethyl)pyridine;tris(2-phenylpyridine);tris(pyridine-2-carboxylic acid);hexakis(rhodium);2-(3H-thiophen-3-id-2-yl)pyridine
• PubChem CID: 159282462
• Molecular Formula: C141H135F6Ir3N12O14Rh6S-9
• Molecular Weight: 3561.84 g/mol
• Exact Mass: 3562.31
• IUPAC Name: 10H-benzo[h]quinolin-10-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;tris(iridium);tetrakis(pentane-2,4-diol);2-(phenylmethyl)pyridine;tris(2-phenylpyridine);tris(pyridine-2-carboxylic acid);hexakis(rhodium);2-(3H-thiophen-3-id-2-yl)pyridine
• SMILES: CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.Cc1[c-]c(-c2ccccn2)cc(C)c1.Fc1c[c-]c(-c2ccc(C(F)(F)F)cn2)cc1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Rh].[Rh].[Rh].[Rh].[Rh].[Rh].[c-]1cccc2ccc3cccnc3c12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1Cc1ccccn1.[c-]1ccsc1-c1ccccn1
• InChI: InChI=1S/C13H8N.C13H12N.C12H6F4N.C12H10N.C11H6F2N.3C11H8N.C9H6NS.3C6H5NO2.4C5H12O2.3Ir.6Rh/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;1-10-7-11(2)9-12(8-10)13-5-3-4-6-14-13;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;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-6-10-8(4-1)9-5-3-7-11-9;3*8-6(9)5-3-1-2-4-7-5;4*1-4(6)3-5(2)7;;;;;;;;;/h1-5,7-9H;3-8H,1-2H3;1,3-7H;1-6,8-9H,10H2;1-4,6-7H;3*1-6,8-9H;1-4,6-7H;3*1-4H,(H,8,9);4*4-7H,3H2,1-2H3;;;;;;;;;/q9*-1
• InChIKey: VKFVAMJFPWXNNU-UHFFFAOYSA-N
• XLogP: 28.49
• TPSA: 428.42 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 24
• Rotatable Bonds: 20
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3561.84
LogP ≤ 5	28.49
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	24

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-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;tris(iridium);tetrakis(pentane-2,4-diol);2-(phenylmethyl)pyridine;tris(2-phenylpyridine);tris(pyridine-2-carboxylic acid);hexakis(rhodium);2-(3H-thiophen-3-id-2-yl)pyridine?

The IUPAC name of 10H-benzo[h]quinolin-10-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;tris(iridium);tetrakis(pentane-2,4-diol);2-(phenylmethyl)pyridine;tris(2-phenylpyridine);tris(pyridine-2-carboxylic acid);hexakis(rhodium);2-(3H-thiophen-3-id-2-yl)pyridine (CID 159282462) is 10H-benzo[h]quinolin-10-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;tris(iridium);tetrakis(pentane-2,4-diol);2-(phenylmethyl)pyridine;tris(2-phenylpyridine);tris(pyridine-2-carboxylic acid);hexakis(rhodium);2-(3H-thiophen-3-id-2-yl)pyridine.

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

The canonical SMILES for 10H-benzo[h]quinolin-10-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;tris(iridium);tetrakis(pentane-2,4-diol);2-(phenylmethyl)pyridine;tris(2-phenylpyridine);tris(pyridine-2-carboxylic acid);hexakis(rhodium);2-(3H-thiophen-3-id-2-yl)pyridine is CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.Cc1[c-]c(-c2ccccn2)cc(C)c1.Fc1c[c-]c(-c2ccc(C(F)(F)F)cn2)cc1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Rh].[Rh].[Rh].[Rh].[Rh].[Rh].[c-]1cccc2ccc3cccnc3c12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1Cc1ccccn1.[c-]1ccsc1-c1ccccn1.

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

The InChIKey is VKFVAMJFPWXNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N.C13H12N.C12H6F4N.C12H10N.C11H6F2N.3C11H8N.C9H6NS.3C6H5NO2.4C5H12O2.3Ir.6Rh/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;1-10-7-11(2)9-12(8-10)13-5-3-4-6-14-13;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;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-6-10-8(4-1)9-5-3-7-11-9;3*8-6(9)5-3-1-2-4-7-5;4*1-4(6)3-5(2)7;;;;;;;;;/h1-5,7-9H;3-8H,1-2H3;1,3-7H;1-6,8-9H,10H2;1-4,6-7H;3*1-6,8-9H;1-4,6-7H;3*1-4H,(H,8,9);4*4-7H,3H2,1-2H3;;;;;;;;;/q9*-1;;;;;;;;;;;;;;;;.

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

10H-benzo[h]quinolin-10-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;tris(iridium);tetrakis(pentane-2,4-diol);2-(phenylmethyl)pyridine;tris(2-phenylpyridine);tris(pyridine-2-carboxylic acid);hexakis(rhodium);2-(3H-thiophen-3-id-2-yl)pyridine has a molecular weight of 3561.84 g/mol, XLogP of 28.49, 20 rotatable bonds, 11 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 10H-benzo[h]quinolin-10-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;tris(iridium);tetrakis(pentane-2,4-diol);2-(phenylmethyl)pyridine;tris(2-phenylpyridine);tris(pyridine-2-carboxylic acid);hexakis(rhodium);2-(3H-thiophen-3-id-2-yl)pyridine is sourced from PubChem (CID 159282462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).