bis(2-(3,5-dimethylbenzene-6-id-1-yl)pyridine);4,5-dimethyl-2-phenylpyridine;tris(iridium);2-(4-methoxybenzene-6-id-1-yl)benzo[h]quinazoline;3-phenyl-8-(trifluoromethyl)benzo[f]quinazoline;6,8,9-trimethyl-2-phenylbenzo[h]quinazoline

About bis(2-(3,5-dimethylbenzene-6-id-1-yl)pyridine);4,5-dimethyl-2-phenylpyridine;tris(iridium);2-(4-methoxybenzene-6-id-1-yl)benzo[h]quinazoline;3-phenyl-8-(trifluoromethyl)benzo[f]quinazoline;6,8,9-trimethyl-2-phenylbenzo[h]quinazoline

bis(2-(3,5-dimethylbenzene-6-id-1-yl)pyridine);4,5-dimethyl-2-phenylpyridine;tris(iridium);2-(4-methoxybenzene-6-id-1-yl)benzo[h]quinazoline;3-phenyl-8-(trifluoromethyl)benzo[f]quinazoline;6,8,9-trimethyl-2-phenylbenzo[h]quinazoline (PubChem CID 158001373) has the molecular formula C98H76F3Ir3N9O-6 and a molecular weight of 2029.39 g/mol. Its IUPAC name is bis(2-(3,5-dimethylbenzene-6-id-1-yl)pyridine);4,5-dimethyl-2-phenylpyridine;tris(iridium);2-(4-methoxybenzene-6-id-1-yl)benzo[h]quinazoline;3-phenyl-8-(trifluoromethyl)benzo[f]quinazoline;6,8,9-trimethyl-2-phenylbenzo[h]quinazoline.

Molecular Properties

Compound Name	bis(2-(3,5-dimethylbenzene-6-id-1-yl)pyridine);4,5-dimethyl-2-phenylpyridine;tris(iridium);2-(4-methoxybenzene-6-id-1-yl)benzo[h]quinazoline;3-phenyl-8-(trifluoromethyl)benzo[f]quinazoline;6,8,9-trimethyl-2-phenylbenzo[h]quinazoline
PubChem CID	158001373
Molecular Formula	C98H76F3Ir3N9O-6
Molecular Weight	2029.39 g/mol
Exact Mass	2030.50
IUPAC Name	bis(2-(3,5-dimethylbenzene-6-id-1-yl)pyridine);4,5-dimethyl-2-phenylpyridine;tris(iridium);2-(4-methoxybenzene-6-id-1-yl)benzo[h]quinazoline;3-phenyl-8-(trifluoromethyl)benzo[f]quinazoline;6,8,9-trimethyl-2-phenylbenzo[h]quinazoline
SMILES	COc1c[c-]c(-c2ncc3ccc4ccccc4c3n2)cc1.Cc1[c-]c(-c2ccccn2)cc(C)c1.Cc1[c-]c(-c2ccccn2)cc(C)c1.Cc1cc2c(C)cc3cnc(-c4[c-]cccc4)nc3c2cc1C.Cc1cnc(-c2[c-]cccc2)cc1C.FC(F)(F)c1ccc2c(ccc3nc(-c4[c-]cccc4)ncc32)c1.[Ir].[Ir].[Ir]
InChI	InChI=1S/C21H17N2.C19H10F3N2.C19H13N2O.3C13H12N.3Ir/c1-13-10-18-15(3)9-17-12-22-21(16-7-5-4-6-8-16)23-20(17)19(18)11-14(13)2;20-19(21,22)14-7-8-15-13(10-14)6-9-17-16(15)11-23-18(24-17)12-4-2-1-3-5-12;1-22-16-10-8-14(9-11-16)19-20-12-15-7-6-13-4-2-3-5-17(13)18(15)21-19;21-10-7-11(2)9-12(8-10)13-5-3-4-6-14-13;1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;;;/h4-7,9-12H,1-3H3;1-4,6-11H;2-8,10-12H,1H3;23-8H,1-2H3;3-6,8-9H,1-2H3;;;/q6*-1;;;
InChIKey	PDDXNKQWDKLROF-UHFFFAOYSA-N
XLogP	24.19
TPSA	125.24 Å²
H-Bond Donors
H-Bond Acceptors	10
Rotatable Bonds	7
Heavy Atoms	114
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2029.39
LogP ≤ 5	24.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of bis(2-(3,5-dimethylbenzene-6-id-1-yl)pyridine);4,5-dimethyl-2-phenylpyridine;tris(iridium);2-(4-methoxybenzene-6-id-1-yl)benzo[h]quinazoline;3-phenyl-8-(trifluoromethyl)benzo[f]quinazoline;6,8,9-trimethyl-2-phenylbenzo[h]quinazoline?

The IUPAC name of bis(2-(3,5-dimethylbenzene-6-id-1-yl)pyridine);4,5-dimethyl-2-phenylpyridine;tris(iridium);2-(4-methoxybenzene-6-id-1-yl)benzo[h]quinazoline;3-phenyl-8-(trifluoromethyl)benzo[f]quinazoline;6,8,9-trimethyl-2-phenylbenzo[h]quinazoline (CID 158001373) is bis(2-(3,5-dimethylbenzene-6-id-1-yl)pyridine);4,5-dimethyl-2-phenylpyridine;tris(iridium);2-(4-methoxybenzene-6-id-1-yl)benzo[h]quinazoline;3-phenyl-8-(trifluoromethyl)benzo[f]quinazoline;6,8,9-trimethyl-2-phenylbenzo[h]quinazoline.

What is the SMILES notation for bis(2-(3,5-dimethylbenzene-6-id-1-yl)pyridine);4,5-dimethyl-2-phenylpyridine;tris(iridium);2-(4-methoxybenzene-6-id-1-yl)benzo[h]quinazoline;3-phenyl-8-(trifluoromethyl)benzo[f]quinazoline;6,8,9-trimethyl-2-phenylbenzo[h]quinazoline?

The canonical SMILES for bis(2-(3,5-dimethylbenzene-6-id-1-yl)pyridine);4,5-dimethyl-2-phenylpyridine;tris(iridium);2-(4-methoxybenzene-6-id-1-yl)benzo[h]quinazoline;3-phenyl-8-(trifluoromethyl)benzo[f]quinazoline;6,8,9-trimethyl-2-phenylbenzo[h]quinazoline is COc1c[c-]c(-c2ncc3ccc4ccccc4c3n2)cc1.Cc1[c-]c(-c2ccccn2)cc(C)c1.Cc1[c-]c(-c2ccccn2)cc(C)c1.Cc1cc2c(C)cc3cnc(-c4[c-]cccc4)nc3c2cc1C.Cc1cnc(-c2[c-]cccc2)cc1C.FC(F)(F)c1ccc2c(ccc3nc(-c4[c-]cccc4)ncc32)c1.[Ir].[Ir].[Ir].

What is the InChIKey of bis(2-(3,5-dimethylbenzene-6-id-1-yl)pyridine);4,5-dimethyl-2-phenylpyridine;tris(iridium);2-(4-methoxybenzene-6-id-1-yl)benzo[h]quinazoline;3-phenyl-8-(trifluoromethyl)benzo[f]quinazoline;6,8,9-trimethyl-2-phenylbenzo[h]quinazoline?

The InChIKey is PDDXNKQWDKLROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N2.C19H10F3N2.C19H13N2O.3C13H12N.3Ir/c1-13-10-18-15(3)9-17-12-22-21(16-7-5-4-6-8-16)23-20(17)19(18)11-14(13)2;20-19(21,22)14-7-8-15-13(10-14)6-9-17-16(15)11-23-18(24-17)12-4-2-1-3-5-12;1-22-16-10-8-14(9-11-16)19-20-12-15-7-6-13-4-2-3-5-17(13)18(15)21-19;2*1-10-7-11(2)9-12(8-10)13-5-3-4-6-14-13;1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;;;/h4-7,9-12H,1-3H3;1-4,6-11H;2-8,10-12H,1H3;2*3-8H,1-2H3;3-6,8-9H,1-2H3;;;/q6*-1;;;.

What are the key properties of bis(2-(3,5-dimethylbenzene-6-id-1-yl)pyridine);4,5-dimethyl-2-phenylpyridine;tris(iridium);2-(4-methoxybenzene-6-id-1-yl)benzo[h]quinazoline;3-phenyl-8-(trifluoromethyl)benzo[f]quinazoline;6,8,9-trimethyl-2-phenylbenzo[h]quinazoline?

Where does this data come from?

All data for bis(2-(3,5-dimethylbenzene-6-id-1-yl)pyridine);4,5-dimethyl-2-phenylpyridine;tris(iridium);2-(4-methoxybenzene-6-id-1-yl)benzo[h]quinazoline;3-phenyl-8-(trifluoromethyl)benzo[f]quinazoline;6,8,9-trimethyl-2-phenylbenzo[h]quinazoline is sourced from PubChem (CID 158001373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).