2-(3,5-difluorobenzene-6-id-1-yl)benzo[h]quinazoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(4-propan-2-ylphenyl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-4-pyridin-3-ylpyridine;8-fluoro-2-phenylbenzo[h]quinazoline;iridium;tris(iridium(3+));2-methylidene-6-phenylpyridin-1-ide;[1-(1-phenylethylideneamino)naphthalen-2-yl]methylideneazanide;[2-(1-phenylethylideneamino)naphthalen-1-yl]methylideneazanide;1-phenylisoquinoline

C141H103F3Ir4N13-2 — CID 157459290

About 2-(3,5-difluorobenzene-6-id-1-yl)benzo[h]quinazoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(4-propan-2-ylphenyl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-4-pyridin-3-ylpyridine;8-fluoro-2-phenylbenzo[h]quinazoline;iridium;tris(iridium(3+));2-methylidene-6-phenylpyridin-1-ide;[1-(1-phenylethylideneamino)naphthalen-2-yl]methylideneazanide;[2-(1-phenylethylideneamino)naphthalen-1-yl]methylideneazanide;1-phenylisoquinoline

2-(3,5-difluorobenzene-6-id-1-yl)benzo[h]quinazoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(4-propan-2-ylphenyl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-4-pyridin-3-ylpyridine;8-fluoro-2-phenylbenzo[h]quinazoline;iridium;tris(iridium(3+));2-methylidene-6-phenylpyridin-1-ide;[1-(1-phenylethylideneamino)naphthalen-2-yl]methylideneazanide;[2-(1-phenylethylideneamino)naphthalen-1-yl]methylideneazanide;1-phenylisoquinoline (PubChem CID 157459290) has the molecular formula C141H103F3Ir4N13-2 and a molecular weight of 2805.33 g/mol. Its IUPAC name is 2-(3,5-difluorobenzene-6-id-1-yl)benzo[h]quinazoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(4-propan-2-ylphenyl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-4-pyridin-3-ylpyridine;8-fluoro-2-phenylbenzo[h]quinazoline;iridium;tris(iridium(3+));2-methylidene-6-phenylpyridin-1-ide;[1-(1-phenylethylideneamino)naphthalen-2-yl]methylideneazanide;[2-(1-phenylethylideneamino)naphthalen-1-yl]methylideneazanide;1-phenylisoquinoline.

Molecular Properties

• Compound Name: 2-(3,5-difluorobenzene-6-id-1-yl)benzo[h]quinazoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(4-propan-2-ylphenyl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-4-pyridin-3-ylpyridine;8-fluoro-2-phenylbenzo[h]quinazoline;iridium;tris(iridium(3+));2-methylidene-6-phenylpyridin-1-ide;[1-(1-phenylethylideneamino)naphthalen-2-yl]methylideneazanide;[2-(1-phenylethylideneamino)naphthalen-1-yl]methylideneazanide;1-phenylisoquinoline
• PubChem CID: 157459290
• Molecular Formula: C141H103F3Ir4N13-2
• Molecular Weight: 2805.33 g/mol
• Exact Mass: 2806.69
• IUPAC Name: 2-(3,5-difluorobenzene-6-id-1-yl)benzo[h]quinazoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(4-propan-2-ylphenyl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-4-pyridin-3-ylpyridine;8-fluoro-2-phenylbenzo[h]quinazoline;iridium;tris(iridium(3+));2-methylidene-6-phenylpyridin-1-ide;[1-(1-phenylethylideneamino)naphthalen-2-yl]methylideneazanide;[2-(1-phenylethylideneamino)naphthalen-1-yl]methylideneazanide;1-phenylisoquinoline
• SMILES: C/C(=N/c1c(C=[N-])ccc2ccccc12)c1[c-]cccc1.C/C(=N/c1ccc2ccccc2c1C=[N-])c1[c-]cccc1.C=C1C=CC=C(c2[c-]cccc2)[N-]1.Cc1[c-]c(-c2cc(-c3ccc(C(C)C)cc3)ccn2)cc(C)c1.Cc1[c-]c(-c2cc(-c3cccnc3)ccn2)cc(C)c1.Fc1[c-]c(-c2ncc3ccc4ccccc4c3n2)cc(F)c1.Fc1ccc2c(ccc3cnc(-c4[c-]cccc4)nc32)c1.[Ir+3].[Ir+3].[Ir+3].[Ir].[c-]1ccccc1-c1nccc2ccccc12
• InChI: InChI=1S/C22H22N.2C19H14N2.C18H9F2N2.C18H10FN2.C18H15N2.C15H10N.C12H9N.4Ir/c1-15(2)18-5-7-19(8-6-18)20-9-10-23-22(14-20)21-12-16(3)11-17(4)13-21;1-14(15-7-3-2-4-8-15)21-19-17(13-20)12-11-16-9-5-6-10-18(16)19;1-14(15-7-3-2-4-8-15)21-19-12-11-16-9-5-6-10-17(16)18(19)13-20;19-14-7-13(8-15(20)9-14)18-21-10-12-6-5-11-3-1-2-4-16(11)17(12)22-18;19-15-8-9-16-13(10-15)6-7-14-11-20-18(21-17(14)16)12-4-2-1-3-5-12;1-13-8-14(2)10-17(9-13)18-11-15(5-7-20-18)16-4-3-6-19-12-16;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;;;;/h5-12,14-15H,1-4H3;2*2-7,9-13H,1H3;1-7,9-10H;1-4,6-11H;3-9,11-12H,1-2H3;1-7,9-11H;2-7,9H,1H2;;;;/q-1;2*-2;4*-1;-2;;3*+3/b;2*21-14-
• InChIKey: UJEKLUWUKQDPEH-GYQILAJQSA-N
• XLogP: 35.62
• TPSA: 186.54 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 15
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2805.33
LogP ≤ 5	35.62
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorobenzene-6-id-1-yl)benzo[h]quinazoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(4-propan-2-ylphenyl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-4-pyridin-3-ylpyridine;8-fluoro-2-phenylbenzo[h]quinazoline;iridium;tris(iridium(3+));2-methylidene-6-phenylpyridin-1-ide;[1-(1-phenylethylideneamino)naphthalen-2-yl]methylideneazanide;[2-(1-phenylethylideneamino)naphthalen-1-yl]methylideneazanide;1-phenylisoquinoline?

The IUPAC name of 2-(3,5-difluorobenzene-6-id-1-yl)benzo[h]quinazoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(4-propan-2-ylphenyl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-4-pyridin-3-ylpyridine;8-fluoro-2-phenylbenzo[h]quinazoline;iridium;tris(iridium(3+));2-methylidene-6-phenylpyridin-1-ide;[1-(1-phenylethylideneamino)naphthalen-2-yl]methylideneazanide;[2-(1-phenylethylideneamino)naphthalen-1-yl]methylideneazanide;1-phenylisoquinoline (CID 157459290) is 2-(3,5-difluorobenzene-6-id-1-yl)benzo[h]quinazoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(4-propan-2-ylphenyl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-4-pyridin-3-ylpyridine;8-fluoro-2-phenylbenzo[h]quinazoline;iridium;tris(iridium(3+));2-methylidene-6-phenylpyridin-1-ide;[1-(1-phenylethylideneamino)naphthalen-2-yl]methylideneazanide;[2-(1-phenylethylideneamino)naphthalen-1-yl]methylideneazanide;1-phenylisoquinoline.

What is the SMILES notation for 2-(3,5-difluorobenzene-6-id-1-yl)benzo[h]quinazoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(4-propan-2-ylphenyl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-4-pyridin-3-ylpyridine;8-fluoro-2-phenylbenzo[h]quinazoline;iridium;tris(iridium(3+));2-methylidene-6-phenylpyridin-1-ide;[1-(1-phenylethylideneamino)naphthalen-2-yl]methylideneazanide;[2-(1-phenylethylideneamino)naphthalen-1-yl]methylideneazanide;1-phenylisoquinoline?

The canonical SMILES for 2-(3,5-difluorobenzene-6-id-1-yl)benzo[h]quinazoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(4-propan-2-ylphenyl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-4-pyridin-3-ylpyridine;8-fluoro-2-phenylbenzo[h]quinazoline;iridium;tris(iridium(3+));2-methylidene-6-phenylpyridin-1-ide;[1-(1-phenylethylideneamino)naphthalen-2-yl]methylideneazanide;[2-(1-phenylethylideneamino)naphthalen-1-yl]methylideneazanide;1-phenylisoquinoline is C/C(=N/c1c(C=[N-])ccc2ccccc12)c1[c-]cccc1.C/C(=N/c1ccc2ccccc2c1C=[N-])c1[c-]cccc1.C=C1C=CC=C(c2[c-]cccc2)[N-]1.Cc1[c-]c(-c2cc(-c3ccc(C(C)C)cc3)ccn2)cc(C)c1.Cc1[c-]c(-c2cc(-c3cccnc3)ccn2)cc(C)c1.Fc1[c-]c(-c2ncc3ccc4ccccc4c3n2)cc(F)c1.Fc1ccc2c(ccc3cnc(-c4[c-]cccc4)nc32)c1.[Ir+3].[Ir+3].[Ir+3].[Ir].[c-]1ccccc1-c1nccc2ccccc12.

What is the InChIKey of 2-(3,5-difluorobenzene-6-id-1-yl)benzo[h]quinazoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(4-propan-2-ylphenyl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-4-pyridin-3-ylpyridine;8-fluoro-2-phenylbenzo[h]quinazoline;iridium;tris(iridium(3+));2-methylidene-6-phenylpyridin-1-ide;[1-(1-phenylethylideneamino)naphthalen-2-yl]methylideneazanide;[2-(1-phenylethylideneamino)naphthalen-1-yl]methylideneazanide;1-phenylisoquinoline?

The InChIKey is UJEKLUWUKQDPEH-GYQILAJQSA-N. The full InChI is InChI=1S/C22H22N.2C19H14N2.C18H9F2N2.C18H10FN2.C18H15N2.C15H10N.C12H9N.4Ir/c1-15(2)18-5-7-19(8-6-18)20-9-10-23-22(14-20)21-12-16(3)11-17(4)13-21;1-14(15-7-3-2-4-8-15)21-19-17(13-20)12-11-16-9-5-6-10-18(16)19;1-14(15-7-3-2-4-8-15)21-19-12-11-16-9-5-6-10-17(16)18(19)13-20;19-14-7-13(8-15(20)9-14)18-21-10-12-6-5-11-3-1-2-4-16(11)17(12)22-18;19-15-8-9-16-13(10-15)6-7-14-11-20-18(21-17(14)16)12-4-2-1-3-5-12;1-13-8-14(2)10-17(9-13)18-11-15(5-7-20-18)16-4-3-6-19-12-16;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;;;;/h5-12,14-15H,1-4H3;2*2-7,9-13H,1H3;1-7,9-10H;1-4,6-11H;3-9,11-12H,1-2H3;1-7,9-11H;2-7,9H,1H2;;;;/q-1;2*-2;4*-1;-2;;3*+3/b;2*21-14-;;;;;;;;;.

What are the key properties of 2-(3,5-difluorobenzene-6-id-1-yl)benzo[h]quinazoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(4-propan-2-ylphenyl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-4-pyridin-3-ylpyridine;8-fluoro-2-phenylbenzo[h]quinazoline;iridium;tris(iridium(3+));2-methylidene-6-phenylpyridin-1-ide;[1-(1-phenylethylideneamino)naphthalen-2-yl]methylideneazanide;[2-(1-phenylethylideneamino)naphthalen-1-yl]methylideneazanide;1-phenylisoquinoline?

2-(3,5-difluorobenzene-6-id-1-yl)benzo[h]quinazoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(4-propan-2-ylphenyl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-4-pyridin-3-ylpyridine;8-fluoro-2-phenylbenzo[h]quinazoline;iridium;tris(iridium(3+));2-methylidene-6-phenylpyridin-1-ide;[1-(1-phenylethylideneamino)naphthalen-2-yl]methylideneazanide;[2-(1-phenylethylideneamino)naphthalen-1-yl]methylideneazanide;1-phenylisoquinoline has a molecular weight of 2805.33 g/mol, XLogP of 35.62, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,5-difluorobenzene-6-id-1-yl)benzo[h]quinazoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(4-propan-2-ylphenyl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-4-pyridin-3-ylpyridine;8-fluoro-2-phenylbenzo[h]quinazoline;iridium;tris(iridium(3+));2-methylidene-6-phenylpyridin-1-ide;[1-(1-phenylethylideneamino)naphthalen-2-yl]methylideneazanide;[2-(1-phenylethylideneamino)naphthalen-1-yl]methylideneazanide;1-phenylisoquinoline is sourced from PubChem (CID 157459290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).