2-(2,4-difluorobenzene-6-id-1-yl)pyridine;heptakis(iridium);2-methyl-6-(3-methylbenzene-6-id-1-yl)pyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;tetra(pyrazol-1-yl)boranuide

C109H90BF2Ir7N15-8 — CID 162165442

IUPAC2-(2,4-difluorobenzene-6-id-1-yl)pyridine;heptakis(iridium);2-methyl-6-(3-methylbenzene-6-id-1-yl)pyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;tetra(pyrazol-1-yl)boranuide
SMILESCC(C)Cc1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.Cc1cc[c-]c(-c2cccc(C)n2)c1.Cc1cccnc1-c1[c-]cccc1.Cc1ccnc(-c2[c-]cccc2)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccccc2)cc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1cnn([B-](n2cccn2)(n2cccn2)n2cccn2)c1
InChIInChI=1S/C21H20N.C17H12N.C13H12N.C12H12BN8.2C12H10N.C11H6F2N.C11H8N.7Ir/c1-16(2)13-17-11-12-22-21(14-17)20-10-6-9-19(15-20)18-7-4-3-5-8-18;1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;1-10-5-3-7-12(9-10)13-8-4-6-11(2)14-13;1-5-14-18(9-1)13(19-10-2-6-15-19,20-11-3-7-16-20)21-12-4-8-17-21;1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;;;/h3-9,11-12,14-16H,13H2,1-2H3;1-9,11-13H;3-6,8-9H,1-2H3;1-12H;2-7,9H,1H3;2-5,7-9H,1H3;1-4,6-7H;1-6,8-9H;;;;;;;/q8*-1;;;;;;;
InChIKeyIALKUCJFATZWLB-UHFFFAOYSA-N
MW3004.35 g/mol
LogP24.27
Rot. Bonds15

About 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;heptakis(iridium);2-methyl-6-(3-methylbenzene-6-id-1-yl)pyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;tetra(pyrazol-1-yl)boranuide

2-(2,4-difluorobenzene-6-id-1-yl)pyridine;heptakis(iridium);2-methyl-6-(3-methylbenzene-6-id-1-yl)pyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;tetra(pyrazol-1-yl)boranuide (PubChem CID 162165442) has the molecular formula C109H90BF2Ir7N15-8 and a molecular weight of 3004.35 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;heptakis(iridium);2-methyl-6-(3-methylbenzene-6-id-1-yl)pyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;tetra(pyrazol-1-yl)boranuide.

Molecular Properties

Compound Name2-(2,4-difluorobenzene-6-id-1-yl)pyridine;heptakis(iridium);2-methyl-6-(3-methylbenzene-6-id-1-yl)pyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;tetra(pyrazol-1-yl)boranuide
PubChem CID162165442
Molecular FormulaC109H90BF2Ir7N15-8
Molecular Weight3004.35 g/mol
Exact Mass3008.50
IUPAC Name2-(2,4-difluorobenzene-6-id-1-yl)pyridine;heptakis(iridium);2-methyl-6-(3-methylbenzene-6-id-1-yl)pyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;tetra(pyrazol-1-yl)boranuide
SMILESCC(C)Cc1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.Cc1cc[c-]c(-c2cccc(C)n2)c1.Cc1cccnc1-c1[c-]cccc1.Cc1ccnc(-c2[c-]cccc2)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccccc2)cc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1cnn([B-](n2cccn2)(n2cccn2)n2cccn2)c1
InChIInChI=1S/C21H20N.C17H12N.C13H12N.C12H12BN8.2C12H10N.C11H6F2N.C11H8N.7Ir/c1-16(2)13-17-11-12-22-21(14-17)20-10-6-9-19(15-20)18-7-4-3-5-8-18;1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;1-10-5-3-7-12(9-10)13-8-4-6-11(2)14-13;1-5-14-18(9-1)13(19-10-2-6-15-19,20-11-3-7-16-20)21-12-4-8-17-21;1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;;;/h3-9,11-12,14-16H,13H2,1-2H3;1-9,11-13H;3-6,8-9H,1-2H3;1-12H;2-7,9H,1H3;2-5,7-9H,1H3;1-4,6-7H;1-6,8-9H;;;;;;;/q8*-1;;;;;;;
InChIKeyIALKUCJFATZWLB-UHFFFAOYSA-N
XLogP24.27
TPSA161.51 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003004.35
LogP ≤ 524.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;heptakis(iridium);2-methyl-6-(3-methylbenzene-6-id-1-yl)pyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;tetra(pyrazol-1-yl)boranuide with MolForge

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[4-[4-[2-(2,4-Difluorobenzene-6-id-1-yl)-4-pyridinyl]hexan-2-yl]phenyl]-diphenyl-(2-pyridin-3-ylphenyl)silane;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
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CID 58510484
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2-[2-Methyl-4-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]pyridine;2-pyridin-2-ylpyridine;ruthenium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;heptakis(iridium);2-methyl-6-(3-methylbenzene-6-id-1-yl)pyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;tetra(pyrazol-1-yl)boranuide?
The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;heptakis(iridium);2-methyl-6-(3-methylbenzene-6-id-1-yl)pyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;tetra(pyrazol-1-yl)boranuide (CID 162165442) is 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;heptakis(iridium);2-methyl-6-(3-methylbenzene-6-id-1-yl)pyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;tetra(pyrazol-1-yl)boranuide.
What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;heptakis(iridium);2-methyl-6-(3-methylbenzene-6-id-1-yl)pyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;tetra(pyrazol-1-yl)boranuide?
The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;heptakis(iridium);2-methyl-6-(3-methylbenzene-6-id-1-yl)pyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;tetra(pyrazol-1-yl)boranuide is CC(C)Cc1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.Cc1cc[c-]c(-c2cccc(C)n2)c1.Cc1cccnc1-c1[c-]cccc1.Cc1ccnc(-c2[c-]cccc2)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccccc2)cc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1cnn([B-](n2cccn2)(n2cccn2)n2cccn2)c1.
What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;heptakis(iridium);2-methyl-6-(3-methylbenzene-6-id-1-yl)pyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;tetra(pyrazol-1-yl)boranuide?
The InChIKey is IALKUCJFATZWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N.C17H12N.C13H12N.C12H12BN8.2C12H10N.C11H6F2N.C11H8N.7Ir/c1-16(2)13-17-11-12-22-21(14-17)20-10-6-9-19(15-20)18-7-4-3-5-8-18;1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;1-10-5-3-7-12(9-10)13-8-4-6-11(2)14-13;1-5-14-18(9-1)13(19-10-2-6-15-19,20-11-3-7-16-20)21-12-4-8-17-21;1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;;;/h3-9,11-12,14-16H,13H2,1-2H3;1-9,11-13H;3-6,8-9H,1-2H3;1-12H;2-7,9H,1H3;2-5,7-9H,1H3;1-4,6-7H;1-6,8-9H;;;;;;;/q8*-1;;;;;;;.
What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;heptakis(iridium);2-methyl-6-(3-methylbenzene-6-id-1-yl)pyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;tetra(pyrazol-1-yl)boranuide?
2-(2,4-difluorobenzene-6-id-1-yl)pyridine;heptakis(iridium);2-methyl-6-(3-methylbenzene-6-id-1-yl)pyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;tetra(pyrazol-1-yl)boranuide has a molecular weight of 3004.35 g/mol, XLogP of 24.27, 15 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;heptakis(iridium);2-methyl-6-(3-methylbenzene-6-id-1-yl)pyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;tetra(pyrazol-1-yl)boranuide is sourced from PubChem (CID 162165442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).