1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;5-hydroxy-2,6-dimethylhept-4-en-3-one;tetrakis(iridium);iridium(3+);2-(2H-naphthalen-2-id-1-yl)pyridine;4-phenyl-2-phenylpyridine;[2-[(E)-2-phenylprop-1-enyl]phenyl]methylideneazanide;3-phenylpyrido[4,3-f]quinazoline;bis(2-phenylpyrido[3,4-h]quinazoline);3-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrido[4,3-f]quinazoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrido[3,4-h]quinazoline

C161H113F6Ir5N19O2-7 — CID 159324155

About 1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;5-hydroxy-2,6-dimethylhept-4-en-3-one;tetrakis(iridium);iridium(3+);2-(2H-naphthalen-2-id-1-yl)pyridine;4-phenyl-2-phenylpyridine;[2-[(E)-2-phenylprop-1-enyl]phenyl]methylideneazanide;3-phenylpyrido[4,3-f]quinazoline;bis(2-phenylpyrido[3,4-h]quinazoline);3-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrido[4,3-f]quinazoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrido[3,4-h]quinazoline

1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;5-hydroxy-2,6-dimethylhept-4-en-3-one;tetrakis(iridium);iridium(3+);2-(2H-naphthalen-2-id-1-yl)pyridine;4-phenyl-2-phenylpyridine;[2-[(E)-2-phenylprop-1-enyl]phenyl]methylideneazanide;3-phenylpyrido[4,3-f]quinazoline;bis(2-phenylpyrido[3,4-h]quinazoline);3-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrido[4,3-f]quinazoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrido[3,4-h]quinazoline (PubChem CID 159324155) has the molecular formula C161H113F6Ir5N19O2-7 and a molecular weight of 3420.88 g/mol. Its IUPAC name is 1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;5-hydroxy-2,6-dimethylhept-4-en-3-one;tetrakis(iridium);iridium(3+);2-(2H-naphthalen-2-id-1-yl)pyridine;4-phenyl-2-phenylpyridine;[2-[(E)-2-phenylprop-1-enyl]phenyl]methylideneazanide;3-phenylpyrido[4,3-f]quinazoline;bis(2-phenylpyrido[3,4-h]quinazoline);3-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrido[4,3-f]quinazoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrido[3,4-h]quinazoline.

Molecular Properties

• Compound Name: 1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;5-hydroxy-2,6-dimethylhept-4-en-3-one;tetrakis(iridium);iridium(3+);2-(2H-naphthalen-2-id-1-yl)pyridine;4-phenyl-2-phenylpyridine;[2-[(E)-2-phenylprop-1-enyl]phenyl]methylideneazanide;3-phenylpyrido[4,3-f]quinazoline;bis(2-phenylpyrido[3,4-h]quinazoline);3-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrido[4,3-f]quinazoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrido[3,4-h]quinazoline
• PubChem CID: 159324155
• Molecular Formula: C161H113F6Ir5N19O2-7
• Molecular Weight: 3420.88 g/mol
• Exact Mass: 3422.74
• IUPAC Name: 1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;5-hydroxy-2,6-dimethylhept-4-en-3-one;tetrakis(iridium);iridium(3+);2-(2H-naphthalen-2-id-1-yl)pyridine;4-phenyl-2-phenylpyridine;[2-[(E)-2-phenylprop-1-enyl]phenyl]methylideneazanide;3-phenylpyrido[4,3-f]quinazoline;bis(2-phenylpyrido[3,4-h]quinazoline);3-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrido[4,3-f]quinazoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrido[3,4-h]quinazoline
• SMILES: C/C(=C\c1ccccc1C=[N-])c1[c-]cccc1.CC(C)C(=O)C=C(O)C(C)C.Cc1[c-]c(-c2nccc3ccccc23)cc(C)c1.FC(F)(F)c1c[c-]c(-c2ncc3c(ccc4cnccc43)n2)cc1.FC(F)(F)c1c[c-]c(-c2ncc3ccc4cnccc4c3n2)cc1.[Ir+3].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2ccccc2c1-c1ccccn1.[c-]1ccccc1-c1cc(-c2ccccc2)ccn1.[c-]1ccccc1-c1ncc2c(ccc3cnccc32)n1.[c-]1ccccc1-c1ncc2ccc3cnccc3c2n1.[c-]1ccccc1-c1ncc2ccc3cnccc3c2n1
• InChI: InChI=1S/2C18H9F3N3.3C17H10N3.C17H14N.C17H12N.C16H13N.C15H10N.C9H16O2.5Ir/c19-18(20,21)13-4-1-11(2-5-13)17-23-10-15-14-7-8-22-9-12(14)3-6-16(15)24-17;19-18(20,21)14-5-3-11(4-6-14)17-23-10-13-2-1-12-9-22-8-7-15(12)16(13)24-17;1-2-4-12(5-3-1)17-19-11-15-14-8-9-18-10-13(14)6-7-16(15)20-17;2*1-2-4-12(5-3-1)17-19-11-14-7-6-13-10-18-9-8-15(13)16(14)20-17;1-12-9-13(2)11-15(10-12)17-16-6-4-3-5-14(16)7-8-18-17;1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15;1-13(14-7-3-2-4-8-14)11-15-9-5-6-10-16(15)12-17;1-2-8-13-12(6-1)7-5-9-14(13)15-10-3-4-11-16-15;1-6(2)8(10)5-9(11)7(3)4;;;;;/h1,3-10H;1-3,5-10H;3*1-4,6-11H;3-10H,1-2H3;1-9,11-13H;2-7,9-12H,1H3;1-8,10-11H;5-7,10H,1-4H3;;;;;/q7*-1;-2;-1;;;;;;+3/b;;;;;;;13-11+
• InChIKey: UQRIMZOEPKQDAD-JLIOGFHDSA-N
• XLogP: 38.83
• TPSA: 291.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3420.88
LogP ≤ 5	38.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;5-hydroxy-2,6-dimethylhept-4-en-3-one;tetrakis(iridium);iridium(3+);2-(2H-naphthalen-2-id-1-yl)pyridine;4-phenyl-2-phenylpyridine;[2-[(E)-2-phenylprop-1-enyl]phenyl]methylideneazanide;3-phenylpyrido[4,3-f]quinazoline;bis(2-phenylpyrido[3,4-h]quinazoline);3-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrido[4,3-f]quinazoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrido[3,4-h]quinazoline?

The IUPAC name of 1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;5-hydroxy-2,6-dimethylhept-4-en-3-one;tetrakis(iridium);iridium(3+);2-(2H-naphthalen-2-id-1-yl)pyridine;4-phenyl-2-phenylpyridine;[2-[(E)-2-phenylprop-1-enyl]phenyl]methylideneazanide;3-phenylpyrido[4,3-f]quinazoline;bis(2-phenylpyrido[3,4-h]quinazoline);3-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrido[4,3-f]quinazoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrido[3,4-h]quinazoline (CID 159324155) is 1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;5-hydroxy-2,6-dimethylhept-4-en-3-one;tetrakis(iridium);iridium(3+);2-(2H-naphthalen-2-id-1-yl)pyridine;4-phenyl-2-phenylpyridine;[2-[(E)-2-phenylprop-1-enyl]phenyl]methylideneazanide;3-phenylpyrido[4,3-f]quinazoline;bis(2-phenylpyrido[3,4-h]quinazoline);3-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrido[4,3-f]quinazoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrido[3,4-h]quinazoline.

What is the SMILES notation for 1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;5-hydroxy-2,6-dimethylhept-4-en-3-one;tetrakis(iridium);iridium(3+);2-(2H-naphthalen-2-id-1-yl)pyridine;4-phenyl-2-phenylpyridine;[2-[(E)-2-phenylprop-1-enyl]phenyl]methylideneazanide;3-phenylpyrido[4,3-f]quinazoline;bis(2-phenylpyrido[3,4-h]quinazoline);3-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrido[4,3-f]quinazoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrido[3,4-h]quinazoline?

The canonical SMILES for 1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;5-hydroxy-2,6-dimethylhept-4-en-3-one;tetrakis(iridium);iridium(3+);2-(2H-naphthalen-2-id-1-yl)pyridine;4-phenyl-2-phenylpyridine;[2-[(E)-2-phenylprop-1-enyl]phenyl]methylideneazanide;3-phenylpyrido[4,3-f]quinazoline;bis(2-phenylpyrido[3,4-h]quinazoline);3-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrido[4,3-f]quinazoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrido[3,4-h]quinazoline is C/C(=C\c1ccccc1C=[N-])c1[c-]cccc1.CC(C)C(=O)C=C(O)C(C)C.Cc1[c-]c(-c2nccc3ccccc23)cc(C)c1.FC(F)(F)c1c[c-]c(-c2ncc3c(ccc4cnccc43)n2)cc1.FC(F)(F)c1c[c-]c(-c2ncc3ccc4cnccc4c3n2)cc1.[Ir+3].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2ccccc2c1-c1ccccn1.[c-]1ccccc1-c1cc(-c2ccccc2)ccn1.[c-]1ccccc1-c1ncc2c(ccc3cnccc32)n1.[c-]1ccccc1-c1ncc2ccc3cnccc3c2n1.[c-]1ccccc1-c1ncc2ccc3cnccc3c2n1.

What is the InChIKey of 1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;5-hydroxy-2,6-dimethylhept-4-en-3-one;tetrakis(iridium);iridium(3+);2-(2H-naphthalen-2-id-1-yl)pyridine;4-phenyl-2-phenylpyridine;[2-[(E)-2-phenylprop-1-enyl]phenyl]methylideneazanide;3-phenylpyrido[4,3-f]quinazoline;bis(2-phenylpyrido[3,4-h]quinazoline);3-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrido[4,3-f]quinazoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrido[3,4-h]quinazoline?

The InChIKey is UQRIMZOEPKQDAD-JLIOGFHDSA-N. The full InChI is InChI=1S/2C18H9F3N3.3C17H10N3.C17H14N.C17H12N.C16H13N.C15H10N.C9H16O2.5Ir/c19-18(20,21)13-4-1-11(2-5-13)17-23-10-15-14-7-8-22-9-12(14)3-6-16(15)24-17;19-18(20,21)14-5-3-11(4-6-14)17-23-10-13-2-1-12-9-22-8-7-15(12)16(13)24-17;1-2-4-12(5-3-1)17-19-11-15-14-8-9-18-10-13(14)6-7-16(15)20-17;2*1-2-4-12(5-3-1)17-19-11-14-7-6-13-10-18-9-8-15(13)16(14)20-17;1-12-9-13(2)11-15(10-12)17-16-6-4-3-5-14(16)7-8-18-17;1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15;1-13(14-7-3-2-4-8-14)11-15-9-5-6-10-16(15)12-17;1-2-8-13-12(6-1)7-5-9-14(13)15-10-3-4-11-16-15;1-6(2)8(10)5-9(11)7(3)4;;;;;/h1,3-10H;1-3,5-10H;3*1-4,6-11H;3-10H,1-2H3;1-9,11-13H;2-7,9-12H,1H3;1-8,10-11H;5-7,10H,1-4H3;;;;;/q7*-1;-2;-1;;;;;;+3/b;;;;;;;13-11+;;;;;;;.

What are the key properties of 1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;5-hydroxy-2,6-dimethylhept-4-en-3-one;tetrakis(iridium);iridium(3+);2-(2H-naphthalen-2-id-1-yl)pyridine;4-phenyl-2-phenylpyridine;[2-[(E)-2-phenylprop-1-enyl]phenyl]methylideneazanide;3-phenylpyrido[4,3-f]quinazoline;bis(2-phenylpyrido[3,4-h]quinazoline);3-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrido[4,3-f]quinazoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrido[3,4-h]quinazoline?

1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;5-hydroxy-2,6-dimethylhept-4-en-3-one;tetrakis(iridium);iridium(3+);2-(2H-naphthalen-2-id-1-yl)pyridine;4-phenyl-2-phenylpyridine;[2-[(E)-2-phenylprop-1-enyl]phenyl]methylideneazanide;3-phenylpyrido[4,3-f]quinazoline;bis(2-phenylpyrido[3,4-h]quinazoline);3-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrido[4,3-f]quinazoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrido[3,4-h]quinazoline has a molecular weight of 3420.88 g/mol, XLogP of 38.83, 15 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;5-hydroxy-2,6-dimethylhept-4-en-3-one;tetrakis(iridium);iridium(3+);2-(2H-naphthalen-2-id-1-yl)pyridine;4-phenyl-2-phenylpyridine;[2-[(E)-2-phenylprop-1-enyl]phenyl]methylideneazanide;3-phenylpyrido[4,3-f]quinazoline;bis(2-phenylpyrido[3,4-h]quinazoline);3-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrido[4,3-f]quinazoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrido[3,4-h]quinazoline is sourced from PubChem (CID 159324155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).