10H-benzo[h]quinolin-10-ide;tetrakis(2,4-dimethyl-8-(2-methylpropyl)-1,5-dihydroisochromeno[4,3-b]quinolin-1-ide);tris(iridium);iridium(3+);1-methyl-3-phenyl-2H-benzimidazol-2-ide;2-phenylpyridine;2-pyridin-2-ylbenzimidazol-1-ide

C138H124Ir4N11O4-6 — CID 157130331

IUPAC10H-benzo[h]quinolin-10-ide;tetrakis(2,4-dimethyl-8-(2-methylpropyl)-1,5-dihydroisochromeno[4,3-b]quinolin-1-ide);tris(iridium);iridium(3+);1-methyl-3-phenyl-2H-benzimidazol-2-ide;2-phenylpyridine;2-pyridin-2-ylbenzimidazol-1-ide
SMILESCN1[CH-]N(c2[c-]cccc2)c2ccccc21.Cc1[c-]c2c(c(C)c1)COc1cc3c(CC(C)C)cccc3nc1-2.Cc1[c-]c2c(c(C)c1)COc1cc3c(CC(C)C)cccc3nc1-2.Cc1[c-]c2c(c(C)c1)COc1cc3c(CC(C)C)cccc3nc1-2.Cc1[c-]c2c(c(C)c1)COc1cc3c(CC(C)C)cccc3nc1-2.[Ir+3].[Ir].[Ir].[Ir].[c-]1cccc2ccc3cccnc3c12.[c-]1ccccc1-c1ccccn1.c1ccc(-c2nc3ccccc3[n-]2)nc1
InChIInChI=1S/4C22H22NO.C14H12N2.C13H8N.C12H8N3.C11H8N.4Ir/c4*1-13(2)8-16-6-5-7-20-17(16)11-21-22(23-20)18-10-14(3)9-15(4)19(18)12-24-21;1-15-11-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h4*5-7,9,11,13H,8,12H2,1-4H3;2-7,9-11H,1H3;1-5,7-9H;1-8H;1-6,8-9H;;;;/q4*-1;-2;3*-1;;;;+3
InChIKeyXKVGRQYWZFKBTB-UHFFFAOYSA-N
MW2769.45 g/mol
LogP32.81
Rot. Bonds11

About 10H-benzo[h]quinolin-10-ide;tetrakis(2,4-dimethyl-8-(2-methylpropyl)-1,5-dihydroisochromeno[4,3-b]quinolin-1-ide);tris(iridium);iridium(3+);1-methyl-3-phenyl-2H-benzimidazol-2-ide;2-phenylpyridine;2-pyridin-2-ylbenzimidazol-1-ide

10H-benzo[h]quinolin-10-ide;tetrakis(2,4-dimethyl-8-(2-methylpropyl)-1,5-dihydroisochromeno[4,3-b]quinolin-1-ide);tris(iridium);iridium(3+);1-methyl-3-phenyl-2H-benzimidazol-2-ide;2-phenylpyridine;2-pyridin-2-ylbenzimidazol-1-ide (PubChem CID 157130331) has the molecular formula C138H124Ir4N11O4-6 and a molecular weight of 2769.45 g/mol. Its IUPAC name is 10H-benzo[h]quinolin-10-ide;tetrakis(2,4-dimethyl-8-(2-methylpropyl)-1,5-dihydroisochromeno[4,3-b]quinolin-1-ide);tris(iridium);iridium(3+);1-methyl-3-phenyl-2H-benzimidazol-2-ide;2-phenylpyridine;2-pyridin-2-ylbenzimidazol-1-ide.

Molecular Properties

Compound Name10H-benzo[h]quinolin-10-ide;tetrakis(2,4-dimethyl-8-(2-methylpropyl)-1,5-dihydroisochromeno[4,3-b]quinolin-1-ide);tris(iridium);iridium(3+);1-methyl-3-phenyl-2H-benzimidazol-2-ide;2-phenylpyridine;2-pyridin-2-ylbenzimidazol-1-ide
PubChem CID157130331
Molecular FormulaC138H124Ir4N11O4-6
Molecular Weight2769.45 g/mol
Exact Mass2770.84
IUPAC Name10H-benzo[h]quinolin-10-ide;tetrakis(2,4-dimethyl-8-(2-methylpropyl)-1,5-dihydroisochromeno[4,3-b]quinolin-1-ide);tris(iridium);iridium(3+);1-methyl-3-phenyl-2H-benzimidazol-2-ide;2-phenylpyridine;2-pyridin-2-ylbenzimidazol-1-ide
SMILESCN1[CH-]N(c2[c-]cccc2)c2ccccc21.Cc1[c-]c2c(c(C)c1)COc1cc3c(CC(C)C)cccc3nc1-2.Cc1[c-]c2c(c(C)c1)COc1cc3c(CC(C)C)cccc3nc1-2.Cc1[c-]c2c(c(C)c1)COc1cc3c(CC(C)C)cccc3nc1-2.Cc1[c-]c2c(c(C)c1)COc1cc3c(CC(C)C)cccc3nc1-2.[Ir+3].[Ir].[Ir].[Ir].[c-]1cccc2ccc3cccnc3c12.[c-]1ccccc1-c1ccccn1.c1ccc(-c2nc3ccccc3[n-]2)nc1
InChIInChI=1S/4C22H22NO.C14H12N2.C13H8N.C12H8N3.C11H8N.4Ir/c4*1-13(2)8-16-6-5-7-20-17(16)11-21-22(23-20)18-10-14(3)9-15(4)19(18)12-24-21;1-15-11-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h4*5-7,9,11,13H,8,12H2,1-4H3;2-7,9-11H,1H3;1-5,7-9H;1-8H;1-6,8-9H;;;;/q4*-1;-2;3*-1;;;;+3
InChIKeyXKVGRQYWZFKBTB-UHFFFAOYSA-N
XLogP32.81
TPSA160.62 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002769.45
LogP ≤ 532.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 10H-benzo[h]quinolin-10-ide;tetrakis(2,4-dimethyl-8-(2-methylpropyl)-1,5-dihydroisochromeno[4,3-b]quinolin-1-ide);tris(iridium);iridium(3+);1-methyl-3-phenyl-2H-benzimidazol-2-ide;2-phenylpyridine;2-pyridin-2-ylbenzimidazol-1-ide with MolForge

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Related Compounds

iridium;10-[1-(2-phenylphenyl)benzimidazol-2-yl]-7-(trifluoromethyl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156667924
iridium;10-[1-(2-phenylphenyl)benzimidazol-2-yl]-7-(trifluoromethyl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156671121
CID 157869142
CID 157869142
CID 158679920
CID 158679920
CID 159766259
CID 159766259
1-Cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;4-(2-propan-2-ylphenyl)morpholine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 160634611
1-Cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;3-propan-2-ylisoquinoline;4-(2-propan-2-ylphenyl)morpholine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine
CID 161004567
N,N-dimethyl-6-[2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-id-9-yl]pyridin-2-amine;N,N-dimethyl-6-[2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-id-9-yl]pyridin-3-amine;9-(3-methyl-2-pyridinyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-1H-carbazol-1-ide;pentakis(platinum(2+))
CID 161793414
iridium;10-[1-(2-phenylphenyl)benzimidazol-2-yl]-7-(trifluoromethyl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 176644340
10-[4-Phenoxazin-10-yl-6-(11-pyrimido[5,4-d]pyrimidin-2-ylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]phenoxazine
CID 117862681
4-[[5-(1-methyl-2H-imidazo[4,5-b]pyridin-3-yl)-6-propan-2-yl-3-pyridinyl]oxy]-9-propan-2-yl-6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 118440313
3-[2,6-Di(propan-2-yl)phenyl]-9-[[3-[2,6-di(propan-2-yl)phenyl]-14-methyl-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaen-9-yl]oxy]-14-methyl-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene
CID 118444669

Frequently Asked Questions

What is the IUPAC name of 10H-benzo[h]quinolin-10-ide;tetrakis(2,4-dimethyl-8-(2-methylpropyl)-1,5-dihydroisochromeno[4,3-b]quinolin-1-ide);tris(iridium);iridium(3+);1-methyl-3-phenyl-2H-benzimidazol-2-ide;2-phenylpyridine;2-pyridin-2-ylbenzimidazol-1-ide?
The IUPAC name of 10H-benzo[h]quinolin-10-ide;tetrakis(2,4-dimethyl-8-(2-methylpropyl)-1,5-dihydroisochromeno[4,3-b]quinolin-1-ide);tris(iridium);iridium(3+);1-methyl-3-phenyl-2H-benzimidazol-2-ide;2-phenylpyridine;2-pyridin-2-ylbenzimidazol-1-ide (CID 157130331) is 10H-benzo[h]quinolin-10-ide;tetrakis(2,4-dimethyl-8-(2-methylpropyl)-1,5-dihydroisochromeno[4,3-b]quinolin-1-ide);tris(iridium);iridium(3+);1-methyl-3-phenyl-2H-benzimidazol-2-ide;2-phenylpyridine;2-pyridin-2-ylbenzimidazol-1-ide.
What is the SMILES notation for 10H-benzo[h]quinolin-10-ide;tetrakis(2,4-dimethyl-8-(2-methylpropyl)-1,5-dihydroisochromeno[4,3-b]quinolin-1-ide);tris(iridium);iridium(3+);1-methyl-3-phenyl-2H-benzimidazol-2-ide;2-phenylpyridine;2-pyridin-2-ylbenzimidazol-1-ide?
The canonical SMILES for 10H-benzo[h]quinolin-10-ide;tetrakis(2,4-dimethyl-8-(2-methylpropyl)-1,5-dihydroisochromeno[4,3-b]quinolin-1-ide);tris(iridium);iridium(3+);1-methyl-3-phenyl-2H-benzimidazol-2-ide;2-phenylpyridine;2-pyridin-2-ylbenzimidazol-1-ide is CN1[CH-]N(c2[c-]cccc2)c2ccccc21.Cc1[c-]c2c(c(C)c1)COc1cc3c(CC(C)C)cccc3nc1-2.Cc1[c-]c2c(c(C)c1)COc1cc3c(CC(C)C)cccc3nc1-2.Cc1[c-]c2c(c(C)c1)COc1cc3c(CC(C)C)cccc3nc1-2.Cc1[c-]c2c(c(C)c1)COc1cc3c(CC(C)C)cccc3nc1-2.[Ir+3].[Ir].[Ir].[Ir].[c-]1cccc2ccc3cccnc3c12.[c-]1ccccc1-c1ccccn1.c1ccc(-c2nc3ccccc3[n-]2)nc1.
What is the InChIKey of 10H-benzo[h]quinolin-10-ide;tetrakis(2,4-dimethyl-8-(2-methylpropyl)-1,5-dihydroisochromeno[4,3-b]quinolin-1-ide);tris(iridium);iridium(3+);1-methyl-3-phenyl-2H-benzimidazol-2-ide;2-phenylpyridine;2-pyridin-2-ylbenzimidazol-1-ide?
The InChIKey is XKVGRQYWZFKBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/4C22H22NO.C14H12N2.C13H8N.C12H8N3.C11H8N.4Ir/c4*1-13(2)8-16-6-5-7-20-17(16)11-21-22(23-20)18-10-14(3)9-15(4)19(18)12-24-21;1-15-11-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h4*5-7,9,11,13H,8,12H2,1-4H3;2-7,9-11H,1H3;1-5,7-9H;1-8H;1-6,8-9H;;;;/q4*-1;-2;3*-1;;;;+3.
What are the key properties of 10H-benzo[h]quinolin-10-ide;tetrakis(2,4-dimethyl-8-(2-methylpropyl)-1,5-dihydroisochromeno[4,3-b]quinolin-1-ide);tris(iridium);iridium(3+);1-methyl-3-phenyl-2H-benzimidazol-2-ide;2-phenylpyridine;2-pyridin-2-ylbenzimidazol-1-ide?
10H-benzo[h]quinolin-10-ide;tetrakis(2,4-dimethyl-8-(2-methylpropyl)-1,5-dihydroisochromeno[4,3-b]quinolin-1-ide);tris(iridium);iridium(3+);1-methyl-3-phenyl-2H-benzimidazol-2-ide;2-phenylpyridine;2-pyridin-2-ylbenzimidazol-1-ide has a molecular weight of 2769.45 g/mol, XLogP of 32.81, 11 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 10H-benzo[h]quinolin-10-ide;tetrakis(2,4-dimethyl-8-(2-methylpropyl)-1,5-dihydroisochromeno[4,3-b]quinolin-1-ide);tris(iridium);iridium(3+);1-methyl-3-phenyl-2H-benzimidazol-2-ide;2-phenylpyridine;2-pyridin-2-ylbenzimidazol-1-ide is sourced from PubChem (CID 157130331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).