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)

C149H132Ir5N17 — CID 161426346

IUPAC2-[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)
SMILESCC(C)(c1[c-]cccc1)c1ccccn1.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.CN1[CH-]N(c2[c-]cccc2)c2ccccc21.CN1[CH-]N(c2[c-]cccc2)c2cccnc21.CN1[CH-]N(c2[c-]cccc2)c2ncccc21.[Ir+3].[Ir+3].[Ir+3].[Ir+3].[Ir+3].[c-]1ccccc1C(c1ccccc1)(c1ccccc1)c1ccccn1.[c-]1ccccc1N1[CH-]N(c2ccccc2)c2ccccc21
InChIInChI=1S/C24H18N.C19H14N2.C14H12N2.4C14H14N.2C13H11N3.C10H10N2.5Ir/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;1-3-9-16(10-4-1)20-15-21(17-11-5-2-6-12-17)19-14-8-7-13-18(19)20;1-15-11-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15;4*1-14(2,12-8-4-3-5-9-12)13-10-6-7-11-15-13;1-15-10-16(11-6-3-2-4-7-11)12-8-5-9-14-13(12)15;1-15-10-16(11-6-3-2-4-7-11)13-12(15)8-5-9-14-13;1-11-7-8-12(9-11)10-5-3-2-4-6-10;;;;;/h1-16,18-19H;1-11,13-15H;2-7,9-11H,1H3;4*3-8,10-11H,1-2H3;2*2-6,8-10H,1H3;2-5,7-9H,1H3;;;;;/q-1;2*-2;4*-1;3*-2;5*+3
InChIKeyRBJWNOSFHCBZBU-UHFFFAOYSA-N
MW3121.90 g/mol
LogP33.18
Rot. Bonds18

About 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)

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) (PubChem CID 161426346) has the molecular formula C149H132Ir5N17 and a molecular weight of 3121.90 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Name2-[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)
PubChem CID161426346
Molecular FormulaC149H132Ir5N17
Molecular Weight3121.90 g/mol
Exact Mass3123.90
IUPAC Name2-[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)
SMILESCC(C)(c1[c-]cccc1)c1ccccn1.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.CN1[CH-]N(c2[c-]cccc2)c2ccccc21.CN1[CH-]N(c2[c-]cccc2)c2cccnc21.CN1[CH-]N(c2[c-]cccc2)c2ncccc21.[Ir+3].[Ir+3].[Ir+3].[Ir+3].[Ir+3].[c-]1ccccc1C(c1ccccc1)(c1ccccc1)c1ccccn1.[c-]1ccccc1N1[CH-]N(c2ccccc2)c2ccccc21
InChIInChI=1S/C24H18N.C19H14N2.C14H12N2.4C14H14N.2C13H11N3.C10H10N2.5Ir/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;1-3-9-16(10-4-1)20-15-21(17-11-5-2-6-12-17)19-14-8-7-13-18(19)20;1-15-11-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15;4*1-14(2,12-8-4-3-5-9-12)13-10-6-7-11-15-13;1-15-10-16(11-6-3-2-4-7-11)12-8-5-9-14-13(12)15;1-15-10-16(11-6-3-2-4-7-11)13-12(15)8-5-9-14-13;1-11-7-8-12(9-11)10-5-3-2-4-6-10;;;;;/h1-16,18-19H;1-11,13-15H;2-7,9-11H,1H3;4*3-8,10-11H,1-2H3;2*2-6,8-10H,1H3;2-5,7-9H,1H3;;;;;/q-1;2*-2;4*-1;3*-2;5*+3
InChIKeyRBJWNOSFHCBZBU-UHFFFAOYSA-N
XLogP33.18
TPSA122.63 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms171
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003121.90
LogP ≤ 533.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

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+));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) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is CC(C)(c1[c-]cccc1)c1ccccn1.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.CN1[CH-]N(c2[c-]cccc2)c2ccccc21.CN1[CH-]N(c2[c-]cccc2)c2cccnc21.CN1[CH-]N(c2[c-]cccc2)c2ncccc21.[Ir+3].[Ir+3].[Ir+3].[Ir+3].[Ir+3].[c-]1ccccc1C(c1ccccc1)(c1ccccc1)c1ccccn1.[c-]1ccccc1N1[CH-]N(c2ccccc2)c2ccccc21.
What is the InChIKey of 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)?
The InChIKey is RBJWNOSFHCBZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N.C19H14N2.C14H12N2.4C14H14N.2C13H11N3.C10H10N2.5Ir/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;1-3-9-16(10-4-1)20-15-21(17-11-5-2-6-12-17)19-14-8-7-13-18(19)20;1-15-11-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15;4*1-14(2,12-8-4-3-5-9-12)13-10-6-7-11-15-13;1-15-10-16(11-6-3-2-4-7-11)12-8-5-9-14-13(12)15;1-15-10-16(11-6-3-2-4-7-11)13-12(15)8-5-9-14-13;1-11-7-8-12(9-11)10-5-3-2-4-6-10;;;;;/h1-16,18-19H;1-11,13-15H;2-7,9-11H,1H3;4*3-8,10-11H,1-2H3;2*2-6,8-10H,1H3;2-5,7-9H,1H3;;;;;/q-1;2*-2;4*-1;3*-2;5*+3.
What are the key properties of 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)?
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) has a molecular weight of 3121.90 g/mol, XLogP of 33.18, 18 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 161426346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).