2-[diphenyl(phenyl)methyl]pyridine;pentakis(iridium(3+));bis(1-methyl-3-phenyl-2H-benzimidazol-2-ide);bis(1-methyl-3-phenyl-2H-imidazol-2-ide);2-(phenoxy)pyridine;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-(2-phenylpropan-2-yl)pyridine)

C140H124Ir5N15O — CID 158456990

IUPAC2-[diphenyl(phenyl)methyl]pyridine;pentakis(iridium(3+));bis(1-methyl-3-phenyl-2H-benzimidazol-2-ide);bis(1-methyl-3-phenyl-2H-imidazol-2-ide);2-(phenoxy)pyridine;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-(2-phenylpropan-2-yl)pyridine)
SMILESCC(C)(c1[c-]cccc1)c1ccccn1.CC(C)(c1[c-]cccc1)c1ccccn1.CC(C)(c1[c-]cccc1)c1ccccn1.CN1C=CN(c2[c-]cccc2)[CH-]1.CN1C=CN(c2[c-]cccc2)[CH-]1.CN1[CH-]N(c2[c-]cccc2)c2ccccc21.CN1[CH-]N(c2[c-]cccc2)c2ccccc21.[Ir+3].[Ir+3].[Ir+3].[Ir+3].[Ir+3].[c-]1ccccc1C(c1ccccc1)(c1ccccc1)c1ccccn1.[c-]1ccccc1N1C=CN(c2ccccc2)[CH-]1.[c-]1ccccc1Oc1ccccn1
InChIInChI=1S/C24H18N.C15H12N2.2C14H12N2.3C14H14N.C11H8NO.2C10H10N2.5Ir/c1-4-12-20(13-5-1)24(21-14-6-2-7-15-21,22-16-8-3-9-17-22)23-18-10-11-19-25-23;1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;2*1-15-11-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15;3*1-14(2,12-8-4-3-5-9-12)13-10-6-7-11-15-13;1-2-6-10(7-3-1)13-11-8-4-5-9-12-11;2*1-11-7-8-12(9-11)10-5-3-2-4-6-10;;;;;/h1-16,18-19H;1-9,11-13H;2*2-7,9-11H,1H3;3*3-8,10-11H,1-2H3;1-6,8-9H;2*2-5,7-9H,1H3;;;;;/q-1;3*-2;4*-1;2*-2;5*+3
InChIKeyKZRNLFWWHDFWFQ-UHFFFAOYSA-N
MW2993.72 g/mol
LogP31.00
Rot. Bonds18

About 2-[diphenyl(phenyl)methyl]pyridine;pentakis(iridium(3+));bis(1-methyl-3-phenyl-2H-benzimidazol-2-ide);bis(1-methyl-3-phenyl-2H-imidazol-2-ide);2-(phenoxy)pyridine;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-(2-phenylpropan-2-yl)pyridine)

2-[diphenyl(phenyl)methyl]pyridine;pentakis(iridium(3+));bis(1-methyl-3-phenyl-2H-benzimidazol-2-ide);bis(1-methyl-3-phenyl-2H-imidazol-2-ide);2-(phenoxy)pyridine;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-(2-phenylpropan-2-yl)pyridine) (PubChem CID 158456990) has the molecular formula C140H124Ir5N15O and a molecular weight of 2993.72 g/mol. Its IUPAC name is 2-[diphenyl(phenyl)methyl]pyridine;pentakis(iridium(3+));bis(1-methyl-3-phenyl-2H-benzimidazol-2-ide);bis(1-methyl-3-phenyl-2H-imidazol-2-ide);2-(phenoxy)pyridine;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-(2-phenylpropan-2-yl)pyridine).

Molecular Properties

Compound Name2-[diphenyl(phenyl)methyl]pyridine;pentakis(iridium(3+));bis(1-methyl-3-phenyl-2H-benzimidazol-2-ide);bis(1-methyl-3-phenyl-2H-imidazol-2-ide);2-(phenoxy)pyridine;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-(2-phenylpropan-2-yl)pyridine)
PubChem CID158456990
Molecular FormulaC140H124Ir5N15O
Molecular Weight2993.72 g/mol
Exact Mass2995.83
IUPAC Name2-[diphenyl(phenyl)methyl]pyridine;pentakis(iridium(3+));bis(1-methyl-3-phenyl-2H-benzimidazol-2-ide);bis(1-methyl-3-phenyl-2H-imidazol-2-ide);2-(phenoxy)pyridine;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-(2-phenylpropan-2-yl)pyridine)
SMILESCC(C)(c1[c-]cccc1)c1ccccn1.CC(C)(c1[c-]cccc1)c1ccccn1.CC(C)(c1[c-]cccc1)c1ccccn1.CN1C=CN(c2[c-]cccc2)[CH-]1.CN1C=CN(c2[c-]cccc2)[CH-]1.CN1[CH-]N(c2[c-]cccc2)c2ccccc21.CN1[CH-]N(c2[c-]cccc2)c2ccccc21.[Ir+3].[Ir+3].[Ir+3].[Ir+3].[Ir+3].[c-]1ccccc1C(c1ccccc1)(c1ccccc1)c1ccccn1.[c-]1ccccc1N1C=CN(c2ccccc2)[CH-]1.[c-]1ccccc1Oc1ccccn1
InChIInChI=1S/C24H18N.C15H12N2.2C14H12N2.3C14H14N.C11H8NO.2C10H10N2.5Ir/c1-4-12-20(13-5-1)24(21-14-6-2-7-15-21,22-16-8-3-9-17-22)23-18-10-11-19-25-23;1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;2*1-15-11-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15;3*1-14(2,12-8-4-3-5-9-12)13-10-6-7-11-15-13;1-2-6-10(7-3-1)13-11-8-4-5-9-12-11;2*1-11-7-8-12(9-11)10-5-3-2-4-6-10;;;;;/h1-16,18-19H;1-9,11-13H;2*2-7,9-11H,1H3;3*3-8,10-11H,1-2H3;1-6,8-9H;2*2-5,7-9H,1H3;;;;;/q-1;3*-2;4*-1;2*-2;5*+3
InChIKeyKZRNLFWWHDFWFQ-UHFFFAOYSA-N
XLogP31.00
TPSA106.08 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds18
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002993.72
LogP ≤ 531.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 2-[diphenyl(phenyl)methyl]pyridine;pentakis(iridium(3+));bis(1-methyl-3-phenyl-2H-benzimidazol-2-ide);bis(1-methyl-3-phenyl-2H-imidazol-2-ide);2-(phenoxy)pyridine;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-(2-phenylpropan-2-yl)pyridine) with MolForge

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Related Compounds

bis(2-[diphenyl(phenyl)methyl]pyridine);pentakis(iridium(3+));methane;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;3-methyl-1-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;1-methyl-3-phenyl-2H-imidazol-2-ide;1-phenyl-3-phenyl-2H-benzimidazol-2-ide;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-(2-phenylpropan-2-yl)pyridine)
CID 161480138
2-[diphenyl(phenyl)methyl]pyridine;pentakis(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;3-methyl-1-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;1-methyl-3-phenyl-2H-imidazol-2-ide;1-phenyl-3-phenyl-2H-benzimidazol-2-ide;tetrakis(2-(2-phenylpropan-2-yl)pyridine)
CID 161426346
tris(diphenyl-phenyl-pyridin-2-ylsilane);tris(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-methyl-3-phenyl-2H-imidazol-2-ide;1-phenyl-3-phenyl-2H-imidazol-2-ide
CID 157203214
lawrencium;1-methyl-3-phenyl-2H-benzimidazol-2-ide
CID 170209546
pentakis(iridium);1-phenyl-3-phenyl-2H-benzimidazol-2-ide;bis(1-phenyl-3-phenyl-2H-benzo[f]benzimidazol-2-ide);pentakis(1-phenyl-3-phenyl-2H-imidazo[4,5-b]quinoxalin-2-ide);bis(1-phenyl-3-phenyl-2H-imidazol-2-ide)
CID 158803575
9-[3-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]-2-(3-methyl-2H-benzimidazol-2-id-1-yl)-1H-carbazol-1-ide;9-[3-[diphenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-2-(3-methyl-2H-benzimidazol-2-id-1-yl)-1H-carbazol-1-ide;2-(3-methyl-2H-benzimidazol-2-id-1-yl)-9-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;2-(3-methyl-2H-benzimidazol-2-id-1-yl)-9-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;2-(3-methyl-2H-imidazol-2-id-1-yl)-9-[3-(1-pyridin-2-ylcyclohexyl)benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum
CID 161467999
iridium;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;1-phenyl-3-phenyl-2H-benzimidazol-2-ide
CID 58556265
CID 153299176
CID 153299176
ethane;ethanol;iridium;1-methyl-3-phenyl-2H-imidazol-2-ide;pyridine
CID 162283599
bis(1,2-dihydroimidazol-2-ide);bis(1-methyl-3-phenyl-2H-benzimidazol-2-ide);platinum
CID 172514234
iridium;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;1-phenyl-3-[4-(3-phenyl-2H-benzimidazol-2-id-1-yl)butyl]-2H-benzimidazol-2-ide
CID 155625565
1-(3-tert-butylphenyl)-3-[3-tert-butyl-5-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxybenzene-6-id-1-yl]-2H-benzimidazol-2-ide;platinum
CID 155651328

Frequently Asked Questions

What is the IUPAC name of 2-[diphenyl(phenyl)methyl]pyridine;pentakis(iridium(3+));bis(1-methyl-3-phenyl-2H-benzimidazol-2-ide);bis(1-methyl-3-phenyl-2H-imidazol-2-ide);2-(phenoxy)pyridine;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-(2-phenylpropan-2-yl)pyridine)?
The IUPAC name of 2-[diphenyl(phenyl)methyl]pyridine;pentakis(iridium(3+));bis(1-methyl-3-phenyl-2H-benzimidazol-2-ide);bis(1-methyl-3-phenyl-2H-imidazol-2-ide);2-(phenoxy)pyridine;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-(2-phenylpropan-2-yl)pyridine) (CID 158456990) is 2-[diphenyl(phenyl)methyl]pyridine;pentakis(iridium(3+));bis(1-methyl-3-phenyl-2H-benzimidazol-2-ide);bis(1-methyl-3-phenyl-2H-imidazol-2-ide);2-(phenoxy)pyridine;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-(2-phenylpropan-2-yl)pyridine).
What is the SMILES notation for 2-[diphenyl(phenyl)methyl]pyridine;pentakis(iridium(3+));bis(1-methyl-3-phenyl-2H-benzimidazol-2-ide);bis(1-methyl-3-phenyl-2H-imidazol-2-ide);2-(phenoxy)pyridine;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-(2-phenylpropan-2-yl)pyridine)?
The canonical SMILES for 2-[diphenyl(phenyl)methyl]pyridine;pentakis(iridium(3+));bis(1-methyl-3-phenyl-2H-benzimidazol-2-ide);bis(1-methyl-3-phenyl-2H-imidazol-2-ide);2-(phenoxy)pyridine;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-(2-phenylpropan-2-yl)pyridine) is CC(C)(c1[c-]cccc1)c1ccccn1.CC(C)(c1[c-]cccc1)c1ccccn1.CC(C)(c1[c-]cccc1)c1ccccn1.CN1C=CN(c2[c-]cccc2)[CH-]1.CN1C=CN(c2[c-]cccc2)[CH-]1.CN1[CH-]N(c2[c-]cccc2)c2ccccc21.CN1[CH-]N(c2[c-]cccc2)c2ccccc21.[Ir+3].[Ir+3].[Ir+3].[Ir+3].[Ir+3].[c-]1ccccc1C(c1ccccc1)(c1ccccc1)c1ccccn1.[c-]1ccccc1N1C=CN(c2ccccc2)[CH-]1.[c-]1ccccc1Oc1ccccn1.
What is the InChIKey of 2-[diphenyl(phenyl)methyl]pyridine;pentakis(iridium(3+));bis(1-methyl-3-phenyl-2H-benzimidazol-2-ide);bis(1-methyl-3-phenyl-2H-imidazol-2-ide);2-(phenoxy)pyridine;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-(2-phenylpropan-2-yl)pyridine)?
The InChIKey is KZRNLFWWHDFWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N.C15H12N2.2C14H12N2.3C14H14N.C11H8NO.2C10H10N2.5Ir/c1-4-12-20(13-5-1)24(21-14-6-2-7-15-21,22-16-8-3-9-17-22)23-18-10-11-19-25-23;1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;2*1-15-11-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15;3*1-14(2,12-8-4-3-5-9-12)13-10-6-7-11-15-13;1-2-6-10(7-3-1)13-11-8-4-5-9-12-11;2*1-11-7-8-12(9-11)10-5-3-2-4-6-10;;;;;/h1-16,18-19H;1-9,11-13H;2*2-7,9-11H,1H3;3*3-8,10-11H,1-2H3;1-6,8-9H;2*2-5,7-9H,1H3;;;;;/q-1;3*-2;4*-1;2*-2;5*+3.
What are the key properties of 2-[diphenyl(phenyl)methyl]pyridine;pentakis(iridium(3+));bis(1-methyl-3-phenyl-2H-benzimidazol-2-ide);bis(1-methyl-3-phenyl-2H-imidazol-2-ide);2-(phenoxy)pyridine;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-(2-phenylpropan-2-yl)pyridine)?
2-[diphenyl(phenyl)methyl]pyridine;pentakis(iridium(3+));bis(1-methyl-3-phenyl-2H-benzimidazol-2-ide);bis(1-methyl-3-phenyl-2H-imidazol-2-ide);2-(phenoxy)pyridine;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-(2-phenylpropan-2-yl)pyridine) has a molecular weight of 2993.72 g/mol, XLogP of 31.00, 18 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[diphenyl(phenyl)methyl]pyridine;pentakis(iridium(3+));bis(1-methyl-3-phenyl-2H-benzimidazol-2-ide);bis(1-methyl-3-phenyl-2H-imidazol-2-ide);2-(phenoxy)pyridine;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-(2-phenylpropan-2-yl)pyridine) is sourced from PubChem (CID 158456990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).