pentakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-6-methylpyridine;tetrakis(2-[3-(4-isocyanophenyl)benzene-6-id-1-yl]-6-methylpyridine);2-methyl-6-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;4-methyl-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]benzonitrile;2-(3-phenylbenzene-6-id-1-yl)pyridine

C181H132Ir5N16-10 — CID 159806312

IUPACpentakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-6-methylpyridine;tetrakis(2-[3-(4-isocyanophenyl)benzene-6-id-1-yl]-6-methylpyridine);2-methyl-6-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;4-methyl-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]benzonitrile;2-(3-phenylbenzene-6-id-1-yl)pyridine
SMILESCc1ccc(-c2cc[c-]c(-c3cc(C)ccn3)c2)cc1.Cc1ccc(-c2cc[c-]c(-c3cccc(C)n3)c2)cc1.Cc1ccnc(-c2[c-]ccc(-c3ccc(C#N)cc3)c2)c1.Cc1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.[C-]#[N+]c1cc[c-]c(-c2cccc(C)n2)c1.[C-]#[N+]c1ccc(-c2cc[c-]c(-c3cccc(C)n3)c2)cc1.[C-]#[N+]c1ccc(-c2cc[c-]c(-c3cccc(C)n3)c2)cc1.[C-]#[N+]c1ccc(-c2cc[c-]c(-c3cccc(C)n3)c2)cc1.[C-]#[N+]c1ccc(-c2cc[c-]c(-c3cccc(C)n3)c2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccccc2)cc1-c1ccccn1
InChIInChI=1S/5C19H13N2.2C19H16N.C18H14N.C17H12N.C13H9N2.5Ir/c4*1-14-5-3-8-19(21-14)17-7-4-6-16(13-17)15-9-11-18(20-2)12-10-15;1-14-9-10-21-19(11-14)18-4-2-3-17(12-18)16-7-5-15(13-20)6-8-16;1-14-9-11-16(12-10-14)17-6-4-7-18(13-17)19-8-3-5-15(2)20-19;1-14-6-8-16(9-7-14)17-4-3-5-18(13-17)19-12-15(2)10-11-20-19;1-14-10-11-19-18(12-14)17-9-5-8-16(13-17)15-6-3-2-4-7-15;1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;1-10-5-3-8-13(15-10)11-6-4-7-12(9-11)14-2;;;;;/h4*3-6,8-13H,1H3;2-3,5-12H,1H3;3-6,8-13H,1-2H3;3-4,6-13H,1-2H3;2-8,10-13H,1H3;1-9,11-13H;3-5,7-9H,1H3;;;;;/q10*-1;;;;;
InChIKeyQLPJTLJMPYNNMB-UHFFFAOYSA-N
MW3492.24 g/mol
LogP46.50
Rot. Bonds19

About pentakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-6-methylpyridine;tetrakis(2-[3-(4-isocyanophenyl)benzene-6-id-1-yl]-6-methylpyridine);2-methyl-6-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;4-methyl-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]benzonitrile;2-(3-phenylbenzene-6-id-1-yl)pyridine

pentakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-6-methylpyridine;tetrakis(2-[3-(4-isocyanophenyl)benzene-6-id-1-yl]-6-methylpyridine);2-methyl-6-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;4-methyl-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]benzonitrile;2-(3-phenylbenzene-6-id-1-yl)pyridine (PubChem CID 159806312) has the molecular formula C181H132Ir5N16-10 and a molecular weight of 3492.24 g/mol. Its IUPAC name is pentakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-6-methylpyridine;tetrakis(2-[3-(4-isocyanophenyl)benzene-6-id-1-yl]-6-methylpyridine);2-methyl-6-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;4-methyl-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]benzonitrile;2-(3-phenylbenzene-6-id-1-yl)pyridine.

Molecular Properties

Compound Namepentakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-6-methylpyridine;tetrakis(2-[3-(4-isocyanophenyl)benzene-6-id-1-yl]-6-methylpyridine);2-methyl-6-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;4-methyl-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]benzonitrile;2-(3-phenylbenzene-6-id-1-yl)pyridine
PubChem CID159806312
Molecular FormulaC181H132Ir5N16-10
Molecular Weight3492.24 g/mol
Exact Mass3493.90
IUPAC Namepentakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-6-methylpyridine;tetrakis(2-[3-(4-isocyanophenyl)benzene-6-id-1-yl]-6-methylpyridine);2-methyl-6-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;4-methyl-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]benzonitrile;2-(3-phenylbenzene-6-id-1-yl)pyridine
SMILESCc1ccc(-c2cc[c-]c(-c3cc(C)ccn3)c2)cc1.Cc1ccc(-c2cc[c-]c(-c3cccc(C)n3)c2)cc1.Cc1ccnc(-c2[c-]ccc(-c3ccc(C#N)cc3)c2)c1.Cc1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.[C-]#[N+]c1cc[c-]c(-c2cccc(C)n2)c1.[C-]#[N+]c1ccc(-c2cc[c-]c(-c3cccc(C)n3)c2)cc1.[C-]#[N+]c1ccc(-c2cc[c-]c(-c3cccc(C)n3)c2)cc1.[C-]#[N+]c1ccc(-c2cc[c-]c(-c3cccc(C)n3)c2)cc1.[C-]#[N+]c1ccc(-c2cc[c-]c(-c3cccc(C)n3)c2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccccc2)cc1-c1ccccn1
InChIInChI=1S/5C19H13N2.2C19H16N.C18H14N.C17H12N.C13H9N2.5Ir/c4*1-14-5-3-8-19(21-14)17-7-4-6-16(13-17)15-9-11-18(20-2)12-10-15;1-14-9-10-21-19(11-14)18-4-2-3-17(12-18)16-7-5-15(13-20)6-8-16;1-14-9-11-16(12-10-14)17-6-4-7-18(13-17)19-8-3-5-15(2)20-19;1-14-6-8-16(9-7-14)17-4-3-5-18(13-17)19-12-15(2)10-11-20-19;1-14-10-11-19-18(12-14)17-9-5-8-16(13-17)15-6-3-2-4-7-15;1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;1-10-5-3-8-13(15-10)11-6-4-7-12(9-11)14-2;;;;;/h4*3-6,8-13H,1H3;2-3,5-12H,1H3;3-6,8-13H,1-2H3;3-4,6-13H,1-2H3;2-8,10-13H,1H3;1-9,11-13H;3-5,7-9H,1H3;;;;;/q10*-1;;;;;
InChIKeyQLPJTLJMPYNNMB-UHFFFAOYSA-N
XLogP46.50
TPSA174.49 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds19
Heavy Atoms202
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003492.24
LogP ≤ 546.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze pentakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-6-methylpyridine;tetrakis(2-[3-(4-isocyanophenyl)benzene-6-id-1-yl]-6-methylpyridine);2-methyl-6-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;4-methyl-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]benzonitrile;2-(3-phenylbenzene-6-id-1-yl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of pentakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-6-methylpyridine;tetrakis(2-[3-(4-isocyanophenyl)benzene-6-id-1-yl]-6-methylpyridine);2-methyl-6-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;4-methyl-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]benzonitrile;2-(3-phenylbenzene-6-id-1-yl)pyridine?
The IUPAC name of pentakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-6-methylpyridine;tetrakis(2-[3-(4-isocyanophenyl)benzene-6-id-1-yl]-6-methylpyridine);2-methyl-6-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;4-methyl-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]benzonitrile;2-(3-phenylbenzene-6-id-1-yl)pyridine (CID 159806312) is pentakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-6-methylpyridine;tetrakis(2-[3-(4-isocyanophenyl)benzene-6-id-1-yl]-6-methylpyridine);2-methyl-6-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;4-methyl-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]benzonitrile;2-(3-phenylbenzene-6-id-1-yl)pyridine.
What is the SMILES notation for pentakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-6-methylpyridine;tetrakis(2-[3-(4-isocyanophenyl)benzene-6-id-1-yl]-6-methylpyridine);2-methyl-6-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;4-methyl-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]benzonitrile;2-(3-phenylbenzene-6-id-1-yl)pyridine?
The canonical SMILES for pentakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-6-methylpyridine;tetrakis(2-[3-(4-isocyanophenyl)benzene-6-id-1-yl]-6-methylpyridine);2-methyl-6-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;4-methyl-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]benzonitrile;2-(3-phenylbenzene-6-id-1-yl)pyridine is Cc1ccc(-c2cc[c-]c(-c3cc(C)ccn3)c2)cc1.Cc1ccc(-c2cc[c-]c(-c3cccc(C)n3)c2)cc1.Cc1ccnc(-c2[c-]ccc(-c3ccc(C#N)cc3)c2)c1.Cc1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.[C-]#[N+]c1cc[c-]c(-c2cccc(C)n2)c1.[C-]#[N+]c1ccc(-c2cc[c-]c(-c3cccc(C)n3)c2)cc1.[C-]#[N+]c1ccc(-c2cc[c-]c(-c3cccc(C)n3)c2)cc1.[C-]#[N+]c1ccc(-c2cc[c-]c(-c3cccc(C)n3)c2)cc1.[C-]#[N+]c1ccc(-c2cc[c-]c(-c3cccc(C)n3)c2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccccc2)cc1-c1ccccn1.
What is the InChIKey of pentakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-6-methylpyridine;tetrakis(2-[3-(4-isocyanophenyl)benzene-6-id-1-yl]-6-methylpyridine);2-methyl-6-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;4-methyl-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]benzonitrile;2-(3-phenylbenzene-6-id-1-yl)pyridine?
The InChIKey is QLPJTLJMPYNNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/5C19H13N2.2C19H16N.C18H14N.C17H12N.C13H9N2.5Ir/c4*1-14-5-3-8-19(21-14)17-7-4-6-16(13-17)15-9-11-18(20-2)12-10-15;1-14-9-10-21-19(11-14)18-4-2-3-17(12-18)16-7-5-15(13-20)6-8-16;1-14-9-11-16(12-10-14)17-6-4-7-18(13-17)19-8-3-5-15(2)20-19;1-14-6-8-16(9-7-14)17-4-3-5-18(13-17)19-12-15(2)10-11-20-19;1-14-10-11-19-18(12-14)17-9-5-8-16(13-17)15-6-3-2-4-7-15;1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;1-10-5-3-8-13(15-10)11-6-4-7-12(9-11)14-2;;;;;/h4*3-6,8-13H,1H3;2-3,5-12H,1H3;3-6,8-13H,1-2H3;3-4,6-13H,1-2H3;2-8,10-13H,1H3;1-9,11-13H;3-5,7-9H,1H3;;;;;/q10*-1;;;;;.
What are the key properties of pentakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-6-methylpyridine;tetrakis(2-[3-(4-isocyanophenyl)benzene-6-id-1-yl]-6-methylpyridine);2-methyl-6-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;4-methyl-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]benzonitrile;2-(3-phenylbenzene-6-id-1-yl)pyridine?
pentakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-6-methylpyridine;tetrakis(2-[3-(4-isocyanophenyl)benzene-6-id-1-yl]-6-methylpyridine);2-methyl-6-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;4-methyl-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]benzonitrile;2-(3-phenylbenzene-6-id-1-yl)pyridine has a molecular weight of 3492.24 g/mol, XLogP of 46.50, 19 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-6-methylpyridine;tetrakis(2-[3-(4-isocyanophenyl)benzene-6-id-1-yl]-6-methylpyridine);2-methyl-6-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;4-methyl-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]benzonitrile;2-(3-phenylbenzene-6-id-1-yl)pyridine is sourced from PubChem (CID 159806312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).