4-(4-ethylphenyl)-2-phenylpyridine;pentakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine;4-phenyl-2-phenylpyridine;2-phenyl-4-(4-propan-2-ylphenyl)pyridine;pentakis(2-phenylpyridine)

C150H120Ir5N10-10 — CID 157148788

IUPAC4-(4-ethylphenyl)-2-phenylpyridine;pentakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine;4-phenyl-2-phenylpyridine;2-phenyl-4-(4-propan-2-ylphenyl)pyridine;pentakis(2-phenylpyridine)
SMILESCC(C)Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.CC(C)c1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.CCc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc(-c2ccccc2)ccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C21H20N.C20H18N.C19H16N.C18H14N.C17H12N.5C11H8N.5Ir/c1-16(2)14-17-8-10-18(11-9-17)20-12-13-22-21(15-20)19-6-4-3-5-7-19;1-15(2)16-8-10-17(11-9-16)19-12-13-21-20(14-19)18-6-4-3-5-7-18;1-2-15-8-10-16(11-9-15)18-12-13-20-19(14-18)17-6-4-3-5-7-17;1-14-7-9-15(10-8-14)17-11-12-19-18(13-17)16-5-3-2-4-6-16;1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15;5*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h3-6,8-13,15-16H,14H2,1-2H3;3-6,8-15H,1-2H3;3-6,8-14H,2H2,1H3;2-5,7-13H,1H3;1-9,11-13H;5*1-6,8-9H;;;;;/q10*-1;;;;;
InChIKeyFSMSTNTWTALGCO-UHFFFAOYSA-N
MW3023.76 g/mol
LogP37.00
Rot. Bonds19

About 4-(4-ethylphenyl)-2-phenylpyridine;pentakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine;4-phenyl-2-phenylpyridine;2-phenyl-4-(4-propan-2-ylphenyl)pyridine;pentakis(2-phenylpyridine)

4-(4-ethylphenyl)-2-phenylpyridine;pentakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine;4-phenyl-2-phenylpyridine;2-phenyl-4-(4-propan-2-ylphenyl)pyridine;pentakis(2-phenylpyridine) (PubChem CID 157148788) has the molecular formula C150H120Ir5N10-10 and a molecular weight of 3023.76 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-2-phenylpyridine;pentakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine;4-phenyl-2-phenylpyridine;2-phenyl-4-(4-propan-2-ylphenyl)pyridine;pentakis(2-phenylpyridine).

Molecular Properties

Compound Name4-(4-ethylphenyl)-2-phenylpyridine;pentakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine;4-phenyl-2-phenylpyridine;2-phenyl-4-(4-propan-2-ylphenyl)pyridine;pentakis(2-phenylpyridine)
PubChem CID157148788
Molecular FormulaC150H120Ir5N10-10
Molecular Weight3023.76 g/mol
Exact Mass3025.79
IUPAC Name4-(4-ethylphenyl)-2-phenylpyridine;pentakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine;4-phenyl-2-phenylpyridine;2-phenyl-4-(4-propan-2-ylphenyl)pyridine;pentakis(2-phenylpyridine)
SMILESCC(C)Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.CC(C)c1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.CCc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc(-c2ccccc2)ccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C21H20N.C20H18N.C19H16N.C18H14N.C17H12N.5C11H8N.5Ir/c1-16(2)14-17-8-10-18(11-9-17)20-12-13-22-21(15-20)19-6-4-3-5-7-19;1-15(2)16-8-10-17(11-9-16)19-12-13-21-20(14-19)18-6-4-3-5-7-18;1-2-15-8-10-16(11-9-15)18-12-13-20-19(14-18)17-6-4-3-5-7-17;1-14-7-9-15(10-8-14)17-11-12-19-18(13-17)16-5-3-2-4-6-16;1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15;5*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h3-6,8-13,15-16H,14H2,1-2H3;3-6,8-15H,1-2H3;3-6,8-14H,2H2,1H3;2-5,7-13H,1H3;1-9,11-13H;5*1-6,8-9H;;;;;/q10*-1;;;;;
InChIKeyFSMSTNTWTALGCO-UHFFFAOYSA-N
XLogP37.00
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms165
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003023.76
LogP ≤ 537.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-(4-ethylphenyl)-2-phenylpyridine;pentakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine;4-phenyl-2-phenylpyridine;2-phenyl-4-(4-propan-2-ylphenyl)pyridine;pentakis(2-phenylpyridine) 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

(2-(4-methyl-5-phenyl-2-pyridinyl-kappaN)phenyl-kappaC)bis(2-(2-pyridinyl-kappaN)phenyl-kappaC) Iridium
CID 59546880
Ru(II)(bpy)2(Mebpy-cyclam-Ni(II))
CID 16683889
Ru(II)(bpy)2(Mebpy-cyclam-Zn(II))
CID 16683890
Ru(II)(bpy)2(Mebpy-cyclam-Cu(II))
CID 16683891
Ru(II)(bpy)2(Mebpy-cyclam-Fe(III)-Cl2)
CID 16683892
Ru(II)(bpy)2(Mebpy-cyclam-Co(III)-Cl2)
CID 16683893
Ru(II)(bpy)2(Mebpy-cyclam-2H+)
CID 16683895
4-Methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium
CID 5494444
Zinc tetrabenzylpyridoporphyrin
CID 16131349
Manganese(2+);tris(2-pyridin-2-ylpyridine);bis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide)
CID 139098886
Benzene;hexakis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);hexakis(copper(1+))
CID 139132391
Tetrakis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);hexane;methanolate;bis(rhodium(3+));bis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide)
CID 139141108

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-2-phenylpyridine;pentakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine;4-phenyl-2-phenylpyridine;2-phenyl-4-(4-propan-2-ylphenyl)pyridine;pentakis(2-phenylpyridine)?
The IUPAC name of 4-(4-ethylphenyl)-2-phenylpyridine;pentakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine;4-phenyl-2-phenylpyridine;2-phenyl-4-(4-propan-2-ylphenyl)pyridine;pentakis(2-phenylpyridine) (CID 157148788) is 4-(4-ethylphenyl)-2-phenylpyridine;pentakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine;4-phenyl-2-phenylpyridine;2-phenyl-4-(4-propan-2-ylphenyl)pyridine;pentakis(2-phenylpyridine).
What is the SMILES notation for 4-(4-ethylphenyl)-2-phenylpyridine;pentakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine;4-phenyl-2-phenylpyridine;2-phenyl-4-(4-propan-2-ylphenyl)pyridine;pentakis(2-phenylpyridine)?
The canonical SMILES for 4-(4-ethylphenyl)-2-phenylpyridine;pentakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine;4-phenyl-2-phenylpyridine;2-phenyl-4-(4-propan-2-ylphenyl)pyridine;pentakis(2-phenylpyridine) is CC(C)Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.CC(C)c1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.CCc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc(-c2ccccc2)ccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 4-(4-ethylphenyl)-2-phenylpyridine;pentakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine;4-phenyl-2-phenylpyridine;2-phenyl-4-(4-propan-2-ylphenyl)pyridine;pentakis(2-phenylpyridine)?
The InChIKey is FSMSTNTWTALGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N.C20H18N.C19H16N.C18H14N.C17H12N.5C11H8N.5Ir/c1-16(2)14-17-8-10-18(11-9-17)20-12-13-22-21(15-20)19-6-4-3-5-7-19;1-15(2)16-8-10-17(11-9-16)19-12-13-21-20(14-19)18-6-4-3-5-7-18;1-2-15-8-10-16(11-9-15)18-12-13-20-19(14-18)17-6-4-3-5-7-17;1-14-7-9-15(10-8-14)17-11-12-19-18(13-17)16-5-3-2-4-6-16;1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15;5*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h3-6,8-13,15-16H,14H2,1-2H3;3-6,8-15H,1-2H3;3-6,8-14H,2H2,1H3;2-5,7-13H,1H3;1-9,11-13H;5*1-6,8-9H;;;;;/q10*-1;;;;;.
What are the key properties of 4-(4-ethylphenyl)-2-phenylpyridine;pentakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine;4-phenyl-2-phenylpyridine;2-phenyl-4-(4-propan-2-ylphenyl)pyridine;pentakis(2-phenylpyridine)?
4-(4-ethylphenyl)-2-phenylpyridine;pentakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine;4-phenyl-2-phenylpyridine;2-phenyl-4-(4-propan-2-ylphenyl)pyridine;pentakis(2-phenylpyridine) has a molecular weight of 3023.76 g/mol, XLogP of 37.00, 19 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-2-phenylpyridine;pentakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine;4-phenyl-2-phenylpyridine;2-phenyl-4-(4-propan-2-ylphenyl)pyridine;pentakis(2-phenylpyridine) is sourced from PubChem (CID 157148788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).