N,N-dimethyl-3-naphtho[2,1-f]isoquinolin-2-ium-1-ylaniline;N,N-dimethyl-3-naphtho[2,1-f]isoquinolin-1-ylbenzene-4-id-1-amine;N,N-dimethyl-1-phenylnaphtho[2,1-f]isoquinolin-8-amine;N,N-dimethyl-1-phenylnaphtho[2,1-f]isoquinolin-9-amine;tris((5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium);tris(iridium);bis(1-phenylnaphtho[2,1-f]isoquinolin-2-ium)

C179H173Ir3N10O6+3 — CID 159253555

About N,N-dimethyl-3-naphtho[2,1-f]isoquinolin-2-ium-1-ylaniline;N,N-dimethyl-3-naphtho[2,1-f]isoquinolin-1-ylbenzene-4-id-1-amine;N,N-dimethyl-1-phenylnaphtho[2,1-f]isoquinolin-8-amine;N,N-dimethyl-1-phenylnaphtho[2,1-f]isoquinolin-9-amine;tris((5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium);tris(iridium);bis(1-phenylnaphtho[2,1-f]isoquinolin-2-ium)

N,N-dimethyl-3-naphtho[2,1-f]isoquinolin-2-ium-1-ylaniline;N,N-dimethyl-3-naphtho[2,1-f]isoquinolin-1-ylbenzene-4-id-1-amine;N,N-dimethyl-1-phenylnaphtho[2,1-f]isoquinolin-8-amine;N,N-dimethyl-1-phenylnaphtho[2,1-f]isoquinolin-9-amine;tris((5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium);tris(iridium);bis(1-phenylnaphtho[2,1-f]isoquinolin-2-ium) (PubChem CID 159253555) has the molecular formula C179H173Ir3N10O6+3 and a molecular weight of 3137.07 g/mol. Its IUPAC name is N,N-dimethyl-3-naphtho[2,1-f]isoquinolin-2-ium-1-ylaniline;N,N-dimethyl-3-naphtho[2,1-f]isoquinolin-1-ylbenzene-4-id-1-amine;N,N-dimethyl-1-phenylnaphtho[2,1-f]isoquinolin-8-amine;N,N-dimethyl-1-phenylnaphtho[2,1-f]isoquinolin-9-amine;tris((5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium);tris(iridium);bis(1-phenylnaphtho[2,1-f]isoquinolin-2-ium).

Molecular Properties

• Compound Name: N,N-dimethyl-3-naphtho[2,1-f]isoquinolin-2-ium-1-ylaniline;N,N-dimethyl-3-naphtho[2,1-f]isoquinolin-1-ylbenzene-4-id-1-amine;N,N-dimethyl-1-phenylnaphtho[2,1-f]isoquinolin-8-amine;N,N-dimethyl-1-phenylnaphtho[2,1-f]isoquinolin-9-amine;tris((5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium);tris(iridium);bis(1-phenylnaphtho[2,1-f]isoquinolin-2-ium)
• PubChem CID: 159253555
• Molecular Formula: C179H173Ir3N10O6+3
• Molecular Weight: 3137.07 g/mol
• Exact Mass: 3137.24
• IUPAC Name: N,N-dimethyl-3-naphtho[2,1-f]isoquinolin-2-ium-1-ylaniline;N,N-dimethyl-3-naphtho[2,1-f]isoquinolin-1-ylbenzene-4-id-1-amine;N,N-dimethyl-1-phenylnaphtho[2,1-f]isoquinolin-8-amine;N,N-dimethyl-1-phenylnaphtho[2,1-f]isoquinolin-9-amine;tris((5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium);tris(iridium);bis(1-phenylnaphtho[2,1-f]isoquinolin-2-ium)
• SMILES: CN(C)c1cc[c-]c(-c2nccc3c2ccc2c4ccccc4ccc32)c1.CN(C)c1ccc2c(ccc3c4ccnc(-c5[c-]cccc5)c4ccc23)c1.CN(C)c1ccc2ccc3c4ccnc(-c5[c-]cccc5)c4ccc3c2c1.CN(C)c1cccc(-c2[nH+]ccc3c2ccc2c4ccccc4ccc32)c1.[H]/[O+]=C(/C=C(O)C(C)(C)C)C(C)(C)C.[H]/[O+]=C(/C=C(O)C(C)(C)C)C(C)(C)C.[H]/[O+]=C(/C=C(O)C(C)(C)C)C(C)(C)C.[Ir].[Ir].[Ir].c1ccc(-c2[nH+]ccc3c2ccc2c4ccccc4ccc32)cc1.c1ccc(-c2[nH+]ccc3c2ccc2c4ccccc4ccc32)cc1
• InChI: InChI=1S/C25H20N2.3C25H19N2.2C23H15N.3C11H20O2.3Ir/c2*1-27(2)19-8-5-7-18(16-19)25-24-13-12-21-20-9-4-3-6-17(20)10-11-22(21)23(24)14-15-26-25;1-27(2)19-10-8-17-9-11-20-21(24(17)16-19)12-13-23-22(20)14-15-26-25(23)18-6-4-3-5-7-18;1-27(2)19-9-11-20-18(16-19)8-10-22-21(20)12-13-24-23(22)14-15-26-25(24)17-6-4-3-5-7-17;2*1-2-7-17(8-3-1)23-22-13-12-19-18-9-5-4-6-16(18)10-11-20(19)21(22)14-15-24-23;3*1-10(2,3)8(12)7-9(13)11(4,5)6;;;/h3-16H,1-2H3;3*3-6,8-16H,1-2H3;2*1-15H;3*7,12H,1-6H3;;;/q;3*-1;;;;;;;;/p+6
• InChIKey: OHYNZEPJKVUWRV-UHFFFAOYSA-T
• XLogP: 44.36
• TPSA: 218.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3137.07
LogP ≤ 5	44.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', '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 N,N-dimethyl-3-naphtho[2,1-f]isoquinolin-2-ium-1-ylaniline;N,N-dimethyl-3-naphtho[2,1-f]isoquinolin-1-ylbenzene-4-id-1-amine;N,N-dimethyl-1-phenylnaphtho[2,1-f]isoquinolin-8-amine;N,N-dimethyl-1-phenylnaphtho[2,1-f]isoquinolin-9-amine;tris((5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium);tris(iridium);bis(1-phenylnaphtho[2,1-f]isoquinolin-2-ium)?

The IUPAC name of N,N-dimethyl-3-naphtho[2,1-f]isoquinolin-2-ium-1-ylaniline;N,N-dimethyl-3-naphtho[2,1-f]isoquinolin-1-ylbenzene-4-id-1-amine;N,N-dimethyl-1-phenylnaphtho[2,1-f]isoquinolin-8-amine;N,N-dimethyl-1-phenylnaphtho[2,1-f]isoquinolin-9-amine;tris((5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium);tris(iridium);bis(1-phenylnaphtho[2,1-f]isoquinolin-2-ium) (CID 159253555) is N,N-dimethyl-3-naphtho[2,1-f]isoquinolin-2-ium-1-ylaniline;N,N-dimethyl-3-naphtho[2,1-f]isoquinolin-1-ylbenzene-4-id-1-amine;N,N-dimethyl-1-phenylnaphtho[2,1-f]isoquinolin-8-amine;N,N-dimethyl-1-phenylnaphtho[2,1-f]isoquinolin-9-amine;tris((5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium);tris(iridium);bis(1-phenylnaphtho[2,1-f]isoquinolin-2-ium).

What is the SMILES notation for N,N-dimethyl-3-naphtho[2,1-f]isoquinolin-2-ium-1-ylaniline;N,N-dimethyl-3-naphtho[2,1-f]isoquinolin-1-ylbenzene-4-id-1-amine;N,N-dimethyl-1-phenylnaphtho[2,1-f]isoquinolin-8-amine;N,N-dimethyl-1-phenylnaphtho[2,1-f]isoquinolin-9-amine;tris((5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium);tris(iridium);bis(1-phenylnaphtho[2,1-f]isoquinolin-2-ium)?

The canonical SMILES for N,N-dimethyl-3-naphtho[2,1-f]isoquinolin-2-ium-1-ylaniline;N,N-dimethyl-3-naphtho[2,1-f]isoquinolin-1-ylbenzene-4-id-1-amine;N,N-dimethyl-1-phenylnaphtho[2,1-f]isoquinolin-8-amine;N,N-dimethyl-1-phenylnaphtho[2,1-f]isoquinolin-9-amine;tris((5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium);tris(iridium);bis(1-phenylnaphtho[2,1-f]isoquinolin-2-ium) is CN(C)c1cc[c-]c(-c2nccc3c2ccc2c4ccccc4ccc32)c1.CN(C)c1ccc2c(ccc3c4ccnc(-c5[c-]cccc5)c4ccc23)c1.CN(C)c1ccc2ccc3c4ccnc(-c5[c-]cccc5)c4ccc3c2c1.CN(C)c1cccc(-c2[nH+]ccc3c2ccc2c4ccccc4ccc32)c1.[H]/[O+]=C(/C=C(O)C(C)(C)C)C(C)(C)C.[H]/[O+]=C(/C=C(O)C(C)(C)C)C(C)(C)C.[H]/[O+]=C(/C=C(O)C(C)(C)C)C(C)(C)C.[Ir].[Ir].[Ir].c1ccc(-c2[nH+]ccc3c2ccc2c4ccccc4ccc32)cc1.c1ccc(-c2[nH+]ccc3c2ccc2c4ccccc4ccc32)cc1.

What is the InChIKey of N,N-dimethyl-3-naphtho[2,1-f]isoquinolin-2-ium-1-ylaniline;N,N-dimethyl-3-naphtho[2,1-f]isoquinolin-1-ylbenzene-4-id-1-amine;N,N-dimethyl-1-phenylnaphtho[2,1-f]isoquinolin-8-amine;N,N-dimethyl-1-phenylnaphtho[2,1-f]isoquinolin-9-amine;tris((5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium);tris(iridium);bis(1-phenylnaphtho[2,1-f]isoquinolin-2-ium)?

The InChIKey is OHYNZEPJKVUWRV-UHFFFAOYSA-T. The full InChI is InChI=1S/C25H20N2.3C25H19N2.2C23H15N.3C11H20O2.3Ir/c2*1-27(2)19-8-5-7-18(16-19)25-24-13-12-21-20-9-4-3-6-17(20)10-11-22(21)23(24)14-15-26-25;1-27(2)19-10-8-17-9-11-20-21(24(17)16-19)12-13-23-22(20)14-15-26-25(23)18-6-4-3-5-7-18;1-27(2)19-9-11-20-18(16-19)8-10-22-21(20)12-13-24-23(22)14-15-26-25(24)17-6-4-3-5-7-17;2*1-2-7-17(8-3-1)23-22-13-12-19-18-9-5-4-6-16(18)10-11-20(19)21(22)14-15-24-23;3*1-10(2,3)8(12)7-9(13)11(4,5)6;;;/h3-16H,1-2H3;3*3-6,8-16H,1-2H3;2*1-15H;3*7,12H,1-6H3;;;/q;3*-1;;;;;;;;/p+6.

What are the key properties of N,N-dimethyl-3-naphtho[2,1-f]isoquinolin-2-ium-1-ylaniline;N,N-dimethyl-3-naphtho[2,1-f]isoquinolin-1-ylbenzene-4-id-1-amine;N,N-dimethyl-1-phenylnaphtho[2,1-f]isoquinolin-8-amine;N,N-dimethyl-1-phenylnaphtho[2,1-f]isoquinolin-9-amine;tris((5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium);tris(iridium);bis(1-phenylnaphtho[2,1-f]isoquinolin-2-ium)?

N,N-dimethyl-3-naphtho[2,1-f]isoquinolin-2-ium-1-ylaniline;N,N-dimethyl-3-naphtho[2,1-f]isoquinolin-1-ylbenzene-4-id-1-amine;N,N-dimethyl-1-phenylnaphtho[2,1-f]isoquinolin-8-amine;N,N-dimethyl-1-phenylnaphtho[2,1-f]isoquinolin-9-amine;tris((5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium);tris(iridium);bis(1-phenylnaphtho[2,1-f]isoquinolin-2-ium) has a molecular weight of 3137.07 g/mol, XLogP of 44.36, 13 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-3-naphtho[2,1-f]isoquinolin-2-ium-1-ylaniline;N,N-dimethyl-3-naphtho[2,1-f]isoquinolin-1-ylbenzene-4-id-1-amine;N,N-dimethyl-1-phenylnaphtho[2,1-f]isoquinolin-8-amine;N,N-dimethyl-1-phenylnaphtho[2,1-f]isoquinolin-9-amine;tris((5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium);tris(iridium);bis(1-phenylnaphtho[2,1-f]isoquinolin-2-ium) is sourced from PubChem (CID 159253555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).