tris(4-benzyl-2-(3H-dibenzofuran-3-id-2-yl)-5-methylpyridine);4-benzyl-2-(3H-dibenzothiophen-3-id-2-yl)-5-methylpyridine;tetrakis(iridium);2-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-5-phenylpyridine;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;5-phenyl-2-phenylpyridine

C169H130Ir4N8O3S-8 — CID 163677091

IUPACtris(4-benzyl-2-(3H-dibenzofuran-3-id-2-yl)-5-methylpyridine);4-benzyl-2-(3H-dibenzothiophen-3-id-2-yl)-5-methylpyridine;tetrakis(iridium);2-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-5-phenylpyridine;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;5-phenyl-2-phenylpyridine
SMILESCc1c[c-]c(-c2cc(CC(C)C)c(-c3ccccc3)cn2)cc1.Cc1c[c-]c(-c2ccc(C)cn2)cc1.Cc1cnc(-c2[c-]cc3oc4ccccc4c3c2)cc1Cc1ccccc1.Cc1cnc(-c2[c-]cc3oc4ccccc4c3c2)cc1Cc1ccccc1.Cc1cnc(-c2[c-]cc3oc4ccccc4c3c2)cc1Cc1ccccc1.Cc1cnc(-c2[c-]cc3sc4ccccc4c3c2)cc1Cc1ccccc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccccc2)cc1-c1ccccn1.[c-]1ccccc1-c1ccc(-c2ccccc2)cn1
InChIInChI=1S/3C25H18NO.C25H18NS.C22H22N.2C17H12N.C13H12N.4Ir/c4*1-17-16-26-23(15-20(17)13-18-7-3-2-4-8-18)19-11-12-25-22(14-19)21-9-5-6-10-24(21)27-25;1-16(2)13-20-14-22(19-11-9-17(3)10-12-19)23-15-21(20)18-7-5-4-6-8-18;1-3-7-14(8-4-1)16-11-12-17(18-13-16)15-9-5-2-6-10-15;1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13;;;;/h4*2-10,12,14-16H,13H2,1H3;4-11,14-16H,13H2,1-3H3;2*1-9,11-13H;3-6,8-9H,1-2H3;;;;/q8*-1;;;;
InChIKeyYVMHNUQWVRFUGT-UHFFFAOYSA-N
MW3121.89 g/mol
LogP43.17
Rot. Bonds21

About tris(4-benzyl-2-(3H-dibenzofuran-3-id-2-yl)-5-methylpyridine);4-benzyl-2-(3H-dibenzothiophen-3-id-2-yl)-5-methylpyridine;tetrakis(iridium);2-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-5-phenylpyridine;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;5-phenyl-2-phenylpyridine

tris(4-benzyl-2-(3H-dibenzofuran-3-id-2-yl)-5-methylpyridine);4-benzyl-2-(3H-dibenzothiophen-3-id-2-yl)-5-methylpyridine;tetrakis(iridium);2-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-5-phenylpyridine;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;5-phenyl-2-phenylpyridine (PubChem CID 163677091) has the molecular formula C169H130Ir4N8O3S-8 and a molecular weight of 3121.89 g/mol. Its IUPAC name is tris(4-benzyl-2-(3H-dibenzofuran-3-id-2-yl)-5-methylpyridine);4-benzyl-2-(3H-dibenzothiophen-3-id-2-yl)-5-methylpyridine;tetrakis(iridium);2-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-5-phenylpyridine;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;5-phenyl-2-phenylpyridine.

Molecular Properties

Compound Nametris(4-benzyl-2-(3H-dibenzofuran-3-id-2-yl)-5-methylpyridine);4-benzyl-2-(3H-dibenzothiophen-3-id-2-yl)-5-methylpyridine;tetrakis(iridium);2-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-5-phenylpyridine;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;5-phenyl-2-phenylpyridine
PubChem CID163677091
Molecular FormulaC169H130Ir4N8O3S-8
Molecular Weight3121.89 g/mol
Exact Mass3122.85
IUPAC Nametris(4-benzyl-2-(3H-dibenzofuran-3-id-2-yl)-5-methylpyridine);4-benzyl-2-(3H-dibenzothiophen-3-id-2-yl)-5-methylpyridine;tetrakis(iridium);2-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-5-phenylpyridine;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;5-phenyl-2-phenylpyridine
SMILESCc1c[c-]c(-c2cc(CC(C)C)c(-c3ccccc3)cn2)cc1.Cc1c[c-]c(-c2ccc(C)cn2)cc1.Cc1cnc(-c2[c-]cc3oc4ccccc4c3c2)cc1Cc1ccccc1.Cc1cnc(-c2[c-]cc3oc4ccccc4c3c2)cc1Cc1ccccc1.Cc1cnc(-c2[c-]cc3oc4ccccc4c3c2)cc1Cc1ccccc1.Cc1cnc(-c2[c-]cc3sc4ccccc4c3c2)cc1Cc1ccccc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccccc2)cc1-c1ccccn1.[c-]1ccccc1-c1ccc(-c2ccccc2)cn1
InChIInChI=1S/3C25H18NO.C25H18NS.C22H22N.2C17H12N.C13H12N.4Ir/c4*1-17-16-26-23(15-20(17)13-18-7-3-2-4-8-18)19-11-12-25-22(14-19)21-9-5-6-10-24(21)27-25;1-16(2)13-20-14-22(19-11-9-17(3)10-12-19)23-15-21(20)18-7-5-4-6-8-18;1-3-7-14(8-4-1)16-11-12-17(18-13-16)15-9-5-2-6-10-15;1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13;;;;/h4*2-10,12,14-16H,13H2,1H3;4-11,14-16H,13H2,1-3H3;2*1-9,11-13H;3-6,8-9H,1-2H3;;;;/q8*-1;;;;
InChIKeyYVMHNUQWVRFUGT-UHFFFAOYSA-N
XLogP43.17
TPSA142.54 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds21
Heavy Atoms185
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003121.89
LogP ≤ 543.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze tris(4-benzyl-2-(3H-dibenzofuran-3-id-2-yl)-5-methylpyridine);4-benzyl-2-(3H-dibenzothiophen-3-id-2-yl)-5-methylpyridine;tetrakis(iridium);2-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-5-phenylpyridine;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;5-phenyl-2-phenylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of tris(4-benzyl-2-(3H-dibenzofuran-3-id-2-yl)-5-methylpyridine);4-benzyl-2-(3H-dibenzothiophen-3-id-2-yl)-5-methylpyridine;tetrakis(iridium);2-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-5-phenylpyridine;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;5-phenyl-2-phenylpyridine?
The IUPAC name of tris(4-benzyl-2-(3H-dibenzofuran-3-id-2-yl)-5-methylpyridine);4-benzyl-2-(3H-dibenzothiophen-3-id-2-yl)-5-methylpyridine;tetrakis(iridium);2-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-5-phenylpyridine;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;5-phenyl-2-phenylpyridine (CID 163677091) is tris(4-benzyl-2-(3H-dibenzofuran-3-id-2-yl)-5-methylpyridine);4-benzyl-2-(3H-dibenzothiophen-3-id-2-yl)-5-methylpyridine;tetrakis(iridium);2-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-5-phenylpyridine;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;5-phenyl-2-phenylpyridine.
What is the SMILES notation for tris(4-benzyl-2-(3H-dibenzofuran-3-id-2-yl)-5-methylpyridine);4-benzyl-2-(3H-dibenzothiophen-3-id-2-yl)-5-methylpyridine;tetrakis(iridium);2-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-5-phenylpyridine;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;5-phenyl-2-phenylpyridine?
The canonical SMILES for tris(4-benzyl-2-(3H-dibenzofuran-3-id-2-yl)-5-methylpyridine);4-benzyl-2-(3H-dibenzothiophen-3-id-2-yl)-5-methylpyridine;tetrakis(iridium);2-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-5-phenylpyridine;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;5-phenyl-2-phenylpyridine is Cc1c[c-]c(-c2cc(CC(C)C)c(-c3ccccc3)cn2)cc1.Cc1c[c-]c(-c2ccc(C)cn2)cc1.Cc1cnc(-c2[c-]cc3oc4ccccc4c3c2)cc1Cc1ccccc1.Cc1cnc(-c2[c-]cc3oc4ccccc4c3c2)cc1Cc1ccccc1.Cc1cnc(-c2[c-]cc3oc4ccccc4c3c2)cc1Cc1ccccc1.Cc1cnc(-c2[c-]cc3sc4ccccc4c3c2)cc1Cc1ccccc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccccc2)cc1-c1ccccn1.[c-]1ccccc1-c1ccc(-c2ccccc2)cn1.
What is the InChIKey of tris(4-benzyl-2-(3H-dibenzofuran-3-id-2-yl)-5-methylpyridine);4-benzyl-2-(3H-dibenzothiophen-3-id-2-yl)-5-methylpyridine;tetrakis(iridium);2-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-5-phenylpyridine;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;5-phenyl-2-phenylpyridine?
The InChIKey is YVMHNUQWVRFUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C25H18NO.C25H18NS.C22H22N.2C17H12N.C13H12N.4Ir/c4*1-17-16-26-23(15-20(17)13-18-7-3-2-4-8-18)19-11-12-25-22(14-19)21-9-5-6-10-24(21)27-25;1-16(2)13-20-14-22(19-11-9-17(3)10-12-19)23-15-21(20)18-7-5-4-6-8-18;1-3-7-14(8-4-1)16-11-12-17(18-13-16)15-9-5-2-6-10-15;1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13;;;;/h4*2-10,12,14-16H,13H2,1H3;4-11,14-16H,13H2,1-3H3;2*1-9,11-13H;3-6,8-9H,1-2H3;;;;/q8*-1;;;;.
What are the key properties of tris(4-benzyl-2-(3H-dibenzofuran-3-id-2-yl)-5-methylpyridine);4-benzyl-2-(3H-dibenzothiophen-3-id-2-yl)-5-methylpyridine;tetrakis(iridium);2-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-5-phenylpyridine;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;5-phenyl-2-phenylpyridine?
tris(4-benzyl-2-(3H-dibenzofuran-3-id-2-yl)-5-methylpyridine);4-benzyl-2-(3H-dibenzothiophen-3-id-2-yl)-5-methylpyridine;tetrakis(iridium);2-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-5-phenylpyridine;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;5-phenyl-2-phenylpyridine has a molecular weight of 3121.89 g/mol, XLogP of 43.17, 21 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-benzyl-2-(3H-dibenzofuran-3-id-2-yl)-5-methylpyridine);4-benzyl-2-(3H-dibenzothiophen-3-id-2-yl)-5-methylpyridine;tetrakis(iridium);2-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-5-phenylpyridine;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;5-phenyl-2-phenylpyridine is sourced from PubChem (CID 163677091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).