tris(iridium(3+));1-[3-methyl-5-(1-phenyl-1-pyridin-2-ylethyl)benzene-6-id-1-yl]-3-[(1R)-1-phenyl-1-pyridin-2-ylethyl]isoquinoline;4-phenyl-2-[(1R)-1-phenyl-1-pyridin-2-ylethyl]-6-[3-(1-phenyl-1-pyridin-2-ylethyl)benzene-2-id-1-yl]pyridine;3-[(1R)-1-phenyl-1-pyridin-2-ylethyl]-1-[3-(1-phenyl-1-pyridin-2-ylethyl)benzene-2-id-1-yl]isoquinoline

C126H94Ir3N9 — CID 163577402

IUPACtris(iridium(3+));1-[3-methyl-5-(1-phenyl-1-pyridin-2-ylethyl)benzene-6-id-1-yl]-3-[(1R)-1-phenyl-1-pyridin-2-ylethyl]isoquinoline;4-phenyl-2-[(1R)-1-phenyl-1-pyridin-2-ylethyl]-6-[3-(1-phenyl-1-pyridin-2-ylethyl)benzene-2-id-1-yl]pyridine;3-[(1R)-1-phenyl-1-pyridin-2-ylethyl]-1-[3-(1-phenyl-1-pyridin-2-ylethyl)benzene-2-id-1-yl]isoquinoline
SMILESCC(c1[c-]cccc1)(c1[c-]c(-c2cc(-c3ccccc3)cc(C(C)(c3[c-]cccc3)c3ccccn3)n2)ccc1)c1ccccn1.CC(c1[c-]cccc1)(c1[c-]c(-c2nc([C@](C)(c3[c-]cccc3)c3ccccn3)cc3ccccc23)ccc1)c1ccccn1.Cc1cc(-c2nc([C@](C)(c3[c-]cccc3)c3ccccn3)cc3ccccc23)[c-]c(C(C)(c2[c-]cccc2)c2ccccn2)c1.[Ir+3].[Ir+3].[Ir+3]
InChIInChI=1S/C43H32N3.C42H32N3.C41H30N3.3Ir/c1-42(35-20-8-4-9-21-35,39-25-12-14-27-44-39)37-24-16-19-33(29-37)38-30-34(32-17-6-3-7-18-32)31-41(46-38)43(2,36-22-10-5-11-23-36)40-26-13-15-28-45-40;1-30-26-32(28-35(27-30)41(2,33-17-6-4-7-18-33)37-22-12-14-24-43-37)40-36-21-11-10-16-31(36)29-39(45-40)42(3,34-19-8-5-9-20-34)38-23-13-15-25-44-38;1-40(32-18-5-3-6-19-32,36-24-11-13-26-42-36)34-22-15-17-31(28-34)39-35-23-10-9-16-30(35)29-38(44-39)41(2,33-20-7-4-8-21-33)37-25-12-14-27-43-37;;;/h3-20,22,24-28,30-31H,1-2H3;4-17,19,21-27,29H,1-3H3;3-18,20,22-27,29H,1-2H3;;;/q3*-3;3*+3/t;41?,42-;40?,41-;;;/m.11.../s1
InChIKeyGGXNWMXJVFLARF-CHPMMLLLSA-N
MW2310.85 g/mol
LogP27.22
Rot. Bonds22

About tris(iridium(3+));1-[3-methyl-5-(1-phenyl-1-pyridin-2-ylethyl)benzene-6-id-1-yl]-3-[(1R)-1-phenyl-1-pyridin-2-ylethyl]isoquinoline;4-phenyl-2-[(1R)-1-phenyl-1-pyridin-2-ylethyl]-6-[3-(1-phenyl-1-pyridin-2-ylethyl)benzene-2-id-1-yl]pyridine;3-[(1R)-1-phenyl-1-pyridin-2-ylethyl]-1-[3-(1-phenyl-1-pyridin-2-ylethyl)benzene-2-id-1-yl]isoquinoline

tris(iridium(3+));1-[3-methyl-5-(1-phenyl-1-pyridin-2-ylethyl)benzene-6-id-1-yl]-3-[(1R)-1-phenyl-1-pyridin-2-ylethyl]isoquinoline;4-phenyl-2-[(1R)-1-phenyl-1-pyridin-2-ylethyl]-6-[3-(1-phenyl-1-pyridin-2-ylethyl)benzene-2-id-1-yl]pyridine;3-[(1R)-1-phenyl-1-pyridin-2-ylethyl]-1-[3-(1-phenyl-1-pyridin-2-ylethyl)benzene-2-id-1-yl]isoquinoline (PubChem CID 163577402) has the molecular formula C126H94Ir3N9 and a molecular weight of 2310.85 g/mol. Its IUPAC name is tris(iridium(3+));1-[3-methyl-5-(1-phenyl-1-pyridin-2-ylethyl)benzene-6-id-1-yl]-3-[(1R)-1-phenyl-1-pyridin-2-ylethyl]isoquinoline;4-phenyl-2-[(1R)-1-phenyl-1-pyridin-2-ylethyl]-6-[3-(1-phenyl-1-pyridin-2-ylethyl)benzene-2-id-1-yl]pyridine;3-[(1R)-1-phenyl-1-pyridin-2-ylethyl]-1-[3-(1-phenyl-1-pyridin-2-ylethyl)benzene-2-id-1-yl]isoquinoline.

Molecular Properties

Compound Nametris(iridium(3+));1-[3-methyl-5-(1-phenyl-1-pyridin-2-ylethyl)benzene-6-id-1-yl]-3-[(1R)-1-phenyl-1-pyridin-2-ylethyl]isoquinoline;4-phenyl-2-[(1R)-1-phenyl-1-pyridin-2-ylethyl]-6-[3-(1-phenyl-1-pyridin-2-ylethyl)benzene-2-id-1-yl]pyridine;3-[(1R)-1-phenyl-1-pyridin-2-ylethyl]-1-[3-(1-phenyl-1-pyridin-2-ylethyl)benzene-2-id-1-yl]isoquinoline
PubChem CID163577402
Molecular FormulaC126H94Ir3N9
Molecular Weight2310.85 g/mol
Exact Mass2311.65
IUPAC Nametris(iridium(3+));1-[3-methyl-5-(1-phenyl-1-pyridin-2-ylethyl)benzene-6-id-1-yl]-3-[(1R)-1-phenyl-1-pyridin-2-ylethyl]isoquinoline;4-phenyl-2-[(1R)-1-phenyl-1-pyridin-2-ylethyl]-6-[3-(1-phenyl-1-pyridin-2-ylethyl)benzene-2-id-1-yl]pyridine;3-[(1R)-1-phenyl-1-pyridin-2-ylethyl]-1-[3-(1-phenyl-1-pyridin-2-ylethyl)benzene-2-id-1-yl]isoquinoline
SMILESCC(c1[c-]cccc1)(c1[c-]c(-c2cc(-c3ccccc3)cc(C(C)(c3[c-]cccc3)c3ccccn3)n2)ccc1)c1ccccn1.CC(c1[c-]cccc1)(c1[c-]c(-c2nc([C@](C)(c3[c-]cccc3)c3ccccn3)cc3ccccc23)ccc1)c1ccccn1.Cc1cc(-c2nc([C@](C)(c3[c-]cccc3)c3ccccn3)cc3ccccc23)[c-]c(C(C)(c2[c-]cccc2)c2ccccn2)c1.[Ir+3].[Ir+3].[Ir+3]
InChIInChI=1S/C43H32N3.C42H32N3.C41H30N3.3Ir/c1-42(35-20-8-4-9-21-35,39-25-12-14-27-44-39)37-24-16-19-33(29-37)38-30-34(32-17-6-3-7-18-32)31-41(46-38)43(2,36-22-10-5-11-23-36)40-26-13-15-28-45-40;1-30-26-32(28-35(27-30)41(2,33-17-6-4-7-18-33)37-22-12-14-24-43-37)40-36-21-11-10-16-31(36)29-39(45-40)42(3,34-19-8-5-9-20-34)38-23-13-15-25-44-38;1-40(32-18-5-3-6-19-32,36-24-11-13-26-42-36)34-22-15-17-31(28-34)39-35-23-10-9-16-30(35)29-38(44-39)41(2,33-20-7-4-8-21-33)37-25-12-14-27-43-37;;;/h3-20,22,24-28,30-31H,1-2H3;4-17,19,21-27,29H,1-3H3;3-18,20,22-27,29H,1-2H3;;;/q3*-3;3*+3/t;41?,42-;40?,41-;;;/m.11.../s1
InChIKeyGGXNWMXJVFLARF-CHPMMLLLSA-N
XLogP27.22
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds22
Heavy Atoms138
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002310.85
LogP ≤ 527.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze tris(iridium(3+));1-[3-methyl-5-(1-phenyl-1-pyridin-2-ylethyl)benzene-6-id-1-yl]-3-[(1R)-1-phenyl-1-pyridin-2-ylethyl]isoquinoline;4-phenyl-2-[(1R)-1-phenyl-1-pyridin-2-ylethyl]-6-[3-(1-phenyl-1-pyridin-2-ylethyl)benzene-2-id-1-yl]pyridine;3-[(1R)-1-phenyl-1-pyridin-2-ylethyl]-1-[3-(1-phenyl-1-pyridin-2-ylethyl)benzene-2-id-1-yl]isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

iridium(3+);4-phenyl-2-[(1R)-1-phenyl-1-pyridin-2-ylethyl]-6-[3-(1-phenyl-1-pyridin-2-ylethyl)benzene-2-id-1-yl]pyridine
CID 154622331
6-cyclopentyl-3-[(1R)-1-phenyl-1-pyridin-2-ylethyl]-1-[3-(1-phenyl-1-pyridin-2-ylethyl)benzene-2-id-1-yl]isoquinoline;iridium(3+)
CID 154622277
1-(3,5-dimethylbenzene-6-id-1-yl)naphtho[2,1-f]isoquinoline;iridium(3+);2-(3-phenylbenzene-6-id-1-yl)pyridine;2-phenylpyridine
CID 168745218
1-[3,5-bis(trideuteriomethyl)benzene-6-id-1-yl]isoquinoline;iridium(3+);bis(2-methyl-6-phenylpyridine)
CID 59546908
1-[3-[3-[3,5-bis(3,5-diphenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]isoquinoline;2-[3-[3-[3,5-bis(3,5-diphenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;1-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]isoquinoline;tris(iridium);tris(1-phenylisoquinoline)
CID 159344194
4-(3,5-dimethylphenyl)-2-phenylpyridine;iridium(3+);phenylbenzene
CID 162487319
iridium;9-[3-(3-phenanthren-9-ylphenyl)phenyl]phenanthrene;2-phenylpyridine
CID 161320383
3-[2,6-bis(2-methylpropyl)phenyl]-2-[(1R)-1-phenyl-1-pyridin-2-ylethyl]-11-(1-phenyl-1-pyridin-2-ylethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium(3+)
CID 154622290
iridium(3+);2-(2-methyl-2-phenyl-3-pyridin-2-ylpropyl)-6-[3-(2-methyl-2-phenyl-3-pyridin-2-ylpropyl)benzene-2-id-1-yl]pyridine
CID 162495582
4-(4-diethoxyphosphorylphenyl)-2-phenyl-6-pyridin-2-ylpyridine
CID 101467297
iridium(3+);1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline;4-methyl-2,6-bis(2H-naphthalen-2-id-1-yl)pyridine
CID 59702665
CID 163549927
CID 163549927

Frequently Asked Questions

What is the IUPAC name of tris(iridium(3+));1-[3-methyl-5-(1-phenyl-1-pyridin-2-ylethyl)benzene-6-id-1-yl]-3-[(1R)-1-phenyl-1-pyridin-2-ylethyl]isoquinoline;4-phenyl-2-[(1R)-1-phenyl-1-pyridin-2-ylethyl]-6-[3-(1-phenyl-1-pyridin-2-ylethyl)benzene-2-id-1-yl]pyridine;3-[(1R)-1-phenyl-1-pyridin-2-ylethyl]-1-[3-(1-phenyl-1-pyridin-2-ylethyl)benzene-2-id-1-yl]isoquinoline?
The IUPAC name of tris(iridium(3+));1-[3-methyl-5-(1-phenyl-1-pyridin-2-ylethyl)benzene-6-id-1-yl]-3-[(1R)-1-phenyl-1-pyridin-2-ylethyl]isoquinoline;4-phenyl-2-[(1R)-1-phenyl-1-pyridin-2-ylethyl]-6-[3-(1-phenyl-1-pyridin-2-ylethyl)benzene-2-id-1-yl]pyridine;3-[(1R)-1-phenyl-1-pyridin-2-ylethyl]-1-[3-(1-phenyl-1-pyridin-2-ylethyl)benzene-2-id-1-yl]isoquinoline (CID 163577402) is tris(iridium(3+));1-[3-methyl-5-(1-phenyl-1-pyridin-2-ylethyl)benzene-6-id-1-yl]-3-[(1R)-1-phenyl-1-pyridin-2-ylethyl]isoquinoline;4-phenyl-2-[(1R)-1-phenyl-1-pyridin-2-ylethyl]-6-[3-(1-phenyl-1-pyridin-2-ylethyl)benzene-2-id-1-yl]pyridine;3-[(1R)-1-phenyl-1-pyridin-2-ylethyl]-1-[3-(1-phenyl-1-pyridin-2-ylethyl)benzene-2-id-1-yl]isoquinoline.
What is the SMILES notation for tris(iridium(3+));1-[3-methyl-5-(1-phenyl-1-pyridin-2-ylethyl)benzene-6-id-1-yl]-3-[(1R)-1-phenyl-1-pyridin-2-ylethyl]isoquinoline;4-phenyl-2-[(1R)-1-phenyl-1-pyridin-2-ylethyl]-6-[3-(1-phenyl-1-pyridin-2-ylethyl)benzene-2-id-1-yl]pyridine;3-[(1R)-1-phenyl-1-pyridin-2-ylethyl]-1-[3-(1-phenyl-1-pyridin-2-ylethyl)benzene-2-id-1-yl]isoquinoline?
The canonical SMILES for tris(iridium(3+));1-[3-methyl-5-(1-phenyl-1-pyridin-2-ylethyl)benzene-6-id-1-yl]-3-[(1R)-1-phenyl-1-pyridin-2-ylethyl]isoquinoline;4-phenyl-2-[(1R)-1-phenyl-1-pyridin-2-ylethyl]-6-[3-(1-phenyl-1-pyridin-2-ylethyl)benzene-2-id-1-yl]pyridine;3-[(1R)-1-phenyl-1-pyridin-2-ylethyl]-1-[3-(1-phenyl-1-pyridin-2-ylethyl)benzene-2-id-1-yl]isoquinoline is CC(c1[c-]cccc1)(c1[c-]c(-c2cc(-c3ccccc3)cc(C(C)(c3[c-]cccc3)c3ccccn3)n2)ccc1)c1ccccn1.CC(c1[c-]cccc1)(c1[c-]c(-c2nc([C@](C)(c3[c-]cccc3)c3ccccn3)cc3ccccc23)ccc1)c1ccccn1.Cc1cc(-c2nc([C@](C)(c3[c-]cccc3)c3ccccn3)cc3ccccc23)[c-]c(C(C)(c2[c-]cccc2)c2ccccn2)c1.[Ir+3].[Ir+3].[Ir+3].
What is the InChIKey of tris(iridium(3+));1-[3-methyl-5-(1-phenyl-1-pyridin-2-ylethyl)benzene-6-id-1-yl]-3-[(1R)-1-phenyl-1-pyridin-2-ylethyl]isoquinoline;4-phenyl-2-[(1R)-1-phenyl-1-pyridin-2-ylethyl]-6-[3-(1-phenyl-1-pyridin-2-ylethyl)benzene-2-id-1-yl]pyridine;3-[(1R)-1-phenyl-1-pyridin-2-ylethyl]-1-[3-(1-phenyl-1-pyridin-2-ylethyl)benzene-2-id-1-yl]isoquinoline?
The InChIKey is GGXNWMXJVFLARF-CHPMMLLLSA-N. The full InChI is InChI=1S/C43H32N3.C42H32N3.C41H30N3.3Ir/c1-42(35-20-8-4-9-21-35,39-25-12-14-27-44-39)37-24-16-19-33(29-37)38-30-34(32-17-6-3-7-18-32)31-41(46-38)43(2,36-22-10-5-11-23-36)40-26-13-15-28-45-40;1-30-26-32(28-35(27-30)41(2,33-17-6-4-7-18-33)37-22-12-14-24-43-37)40-36-21-11-10-16-31(36)29-39(45-40)42(3,34-19-8-5-9-20-34)38-23-13-15-25-44-38;1-40(32-18-5-3-6-19-32,36-24-11-13-26-42-36)34-22-15-17-31(28-34)39-35-23-10-9-16-30(35)29-38(44-39)41(2,33-20-7-4-8-21-33)37-25-12-14-27-43-37;;;/h3-20,22,24-28,30-31H,1-2H3;4-17,19,21-27,29H,1-3H3;3-18,20,22-27,29H,1-2H3;;;/q3*-3;3*+3/t;41?,42-;40?,41-;;;/m.11.../s1.
What are the key properties of tris(iridium(3+));1-[3-methyl-5-(1-phenyl-1-pyridin-2-ylethyl)benzene-6-id-1-yl]-3-[(1R)-1-phenyl-1-pyridin-2-ylethyl]isoquinoline;4-phenyl-2-[(1R)-1-phenyl-1-pyridin-2-ylethyl]-6-[3-(1-phenyl-1-pyridin-2-ylethyl)benzene-2-id-1-yl]pyridine;3-[(1R)-1-phenyl-1-pyridin-2-ylethyl]-1-[3-(1-phenyl-1-pyridin-2-ylethyl)benzene-2-id-1-yl]isoquinoline?
tris(iridium(3+));1-[3-methyl-5-(1-phenyl-1-pyridin-2-ylethyl)benzene-6-id-1-yl]-3-[(1R)-1-phenyl-1-pyridin-2-ylethyl]isoquinoline;4-phenyl-2-[(1R)-1-phenyl-1-pyridin-2-ylethyl]-6-[3-(1-phenyl-1-pyridin-2-ylethyl)benzene-2-id-1-yl]pyridine;3-[(1R)-1-phenyl-1-pyridin-2-ylethyl]-1-[3-(1-phenyl-1-pyridin-2-ylethyl)benzene-2-id-1-yl]isoquinoline has a molecular weight of 2310.85 g/mol, XLogP of 27.22, 22 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tris(iridium(3+));1-[3-methyl-5-(1-phenyl-1-pyridin-2-ylethyl)benzene-6-id-1-yl]-3-[(1R)-1-phenyl-1-pyridin-2-ylethyl]isoquinoline;4-phenyl-2-[(1R)-1-phenyl-1-pyridin-2-ylethyl]-6-[3-(1-phenyl-1-pyridin-2-ylethyl)benzene-2-id-1-yl]pyridine;3-[(1R)-1-phenyl-1-pyridin-2-ylethyl]-1-[3-(1-phenyl-1-pyridin-2-ylethyl)benzene-2-id-1-yl]isoquinoline is sourced from PubChem (CID 163577402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).