2-(3-deuteriobenzene-6-id-1-yl)pyridine;2-(4-deuteriobenzene-6-id-1-yl)pyridine;5-deuterio-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;2-[3-(3,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;4-(3,5-dimethylphenyl)-2-phenylpyridine;pentakis(iridium);bis(2-(3-methylbenzene-6-id-1-yl)pyridine);tris(2-phenylpyridine)

C135H106Ir5N10-10 — CID 157132478

IUPAC2-(3-deuteriobenzene-6-id-1-yl)pyridine;2-(4-deuteriobenzene-6-id-1-yl)pyridine;5-deuterio-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;2-[3-(3,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;4-(3,5-dimethylphenyl)-2-phenylpyridine;pentakis(iridium);bis(2-(3-methylbenzene-6-id-1-yl)pyridine);tris(2-phenylpyridine)
SMILESCc1cc(C)cc(-c2cc[c-]c(-c3ccccn3)c2)c1.Cc1cc(C)cc(-c2ccnc(-c3[c-]cccc3)c2)c1.Cc1cc[c-]c(-c2ccccn2)c1.Cc1cc[c-]c(-c2ccccn2)c1.[2H]c1c[c-]c(-c2ccccn2)cc1.[2H]c1cc[c-]c(-c2ccccn2)c1.[2H]c1ccc(-c2[c-]ccc(-c3ccc(C)cc3)c2)nc1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/2C19H16N.C18H14N.2C12H10N.5C11H8N.5Ir/c1-14-10-15(2)12-18(11-14)16-6-5-7-17(13-16)19-8-3-4-9-20-19;1-14-10-15(2)12-18(11-14)17-8-9-20-19(13-17)16-6-4-3-5-7-16;1-14-8-10-15(11-9-14)16-5-4-6-17(13-16)18-7-2-3-12-19-18;2*1-10-5-4-6-11(9-10)12-7-2-3-8-13-12;5*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h2*3-6,8-13H,1-2H3;2-5,7-13H,1H3;2*2-5,7-9H,1H3;5*1-6,8-9H;;;;;/q10*-1;;;;;/i;;3D;;;2D;1D;;;;;;;;
InChIKeyCFPZPKXBTQUORF-AGBKMPJVSA-N
MW2832.51 g/mol
LogP32.64
Rot. Bonds13

About 2-(3-deuteriobenzene-6-id-1-yl)pyridine;2-(4-deuteriobenzene-6-id-1-yl)pyridine;5-deuterio-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;2-[3-(3,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;4-(3,5-dimethylphenyl)-2-phenylpyridine;pentakis(iridium);bis(2-(3-methylbenzene-6-id-1-yl)pyridine);tris(2-phenylpyridine)

2-(3-deuteriobenzene-6-id-1-yl)pyridine;2-(4-deuteriobenzene-6-id-1-yl)pyridine;5-deuterio-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;2-[3-(3,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;4-(3,5-dimethylphenyl)-2-phenylpyridine;pentakis(iridium);bis(2-(3-methylbenzene-6-id-1-yl)pyridine);tris(2-phenylpyridine) (PubChem CID 157132478) has the molecular formula C135H106Ir5N10-10 and a molecular weight of 2832.51 g/mol. Its IUPAC name is 2-(3-deuteriobenzene-6-id-1-yl)pyridine;2-(4-deuteriobenzene-6-id-1-yl)pyridine;5-deuterio-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;2-[3-(3,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;4-(3,5-dimethylphenyl)-2-phenylpyridine;pentakis(iridium);bis(2-(3-methylbenzene-6-id-1-yl)pyridine);tris(2-phenylpyridine).

Molecular Properties

Compound Name2-(3-deuteriobenzene-6-id-1-yl)pyridine;2-(4-deuteriobenzene-6-id-1-yl)pyridine;5-deuterio-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;2-[3-(3,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;4-(3,5-dimethylphenyl)-2-phenylpyridine;pentakis(iridium);bis(2-(3-methylbenzene-6-id-1-yl)pyridine);tris(2-phenylpyridine)
PubChem CID157132478
Molecular FormulaC135H106Ir5N10-10
Molecular Weight2832.51 g/mol
Exact Mass2834.70
IUPAC Name2-(3-deuteriobenzene-6-id-1-yl)pyridine;2-(4-deuteriobenzene-6-id-1-yl)pyridine;5-deuterio-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;2-[3-(3,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;4-(3,5-dimethylphenyl)-2-phenylpyridine;pentakis(iridium);bis(2-(3-methylbenzene-6-id-1-yl)pyridine);tris(2-phenylpyridine)
SMILESCc1cc(C)cc(-c2cc[c-]c(-c3ccccn3)c2)c1.Cc1cc(C)cc(-c2ccnc(-c3[c-]cccc3)c2)c1.Cc1cc[c-]c(-c2ccccn2)c1.Cc1cc[c-]c(-c2ccccn2)c1.[2H]c1c[c-]c(-c2ccccn2)cc1.[2H]c1cc[c-]c(-c2ccccn2)c1.[2H]c1ccc(-c2[c-]ccc(-c3ccc(C)cc3)c2)nc1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/2C19H16N.C18H14N.2C12H10N.5C11H8N.5Ir/c1-14-10-15(2)12-18(11-14)16-6-5-7-17(13-16)19-8-3-4-9-20-19;1-14-10-15(2)12-18(11-14)17-8-9-20-19(13-17)16-6-4-3-5-7-16;1-14-8-10-15(11-9-14)16-5-4-6-17(13-16)18-7-2-3-12-19-18;2*1-10-5-4-6-11(9-10)12-7-2-3-8-13-12;5*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h2*3-6,8-13H,1-2H3;2-5,7-13H,1H3;2*2-5,7-9H,1H3;5*1-6,8-9H;;;;;/q10*-1;;;;;/i;;3D;;;2D;1D;;;;;;;;
InChIKeyCFPZPKXBTQUORF-AGBKMPJVSA-N
XLogP32.64
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms150
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002832.51
LogP ≤ 532.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-(3-deuteriobenzene-6-id-1-yl)pyridine;2-(4-deuteriobenzene-6-id-1-yl)pyridine;5-deuterio-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;2-[3-(3,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;4-(3,5-dimethylphenyl)-2-phenylpyridine;pentakis(iridium);bis(2-(3-methylbenzene-6-id-1-yl)pyridine);tris(2-phenylpyridine) with MolForge

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Related Compounds

(2-(4-methyl-5-phenyl-2-pyridinyl-kappaN)phenyl-kappaC)bis(2-(2-pyridinyl-kappaN)phenyl-kappaC) Iridium
CID 59546880
3-[(2S)-1-methylpyrrolidin-2-yl]-1-[5-[2,4,5-tris[5-[3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium-1-yl]pentyl]phenyl]pentyl]pyridin-1-ium tetrabromide
CID 44581014
3-[(2S)-1-methylpyrrolidin-2-yl]-1-[5-[2,4,5-tris[5-[3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium-1-yl]pent-1-ynyl]phenyl]pent-4-ynyl]pyridin-1-ium tetrabromide
CID 73355980
4-Tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium
CID 170518286
Ru(II)(phen)2(phen-cyclam-Ni(II)
CID 16683885
Ru(II)(phen)2(phen-cyclam-Cu(II)
CID 16683886
Ru(II)(phen)2(phen-cyclam-Fe(III))
CID 16683887
Ru(II)(phen)2(phen-cyclam-Co(III)-Cl2)
CID 16683888
Ru(II)(bpy)2(Mebpy-cyclam-Ni(II))
CID 16683889
Ru(II)(bpy)2(Mebpy-cyclam-Zn(II))
CID 16683890
Ru(II)(bpy)2(Mebpy-cyclam-Cu(II))
CID 16683891
Ru(II)(bpy)2(Mebpy-cyclam-Fe(III)-Cl2)
CID 16683892

Frequently Asked Questions

What is the IUPAC name of 2-(3-deuteriobenzene-6-id-1-yl)pyridine;2-(4-deuteriobenzene-6-id-1-yl)pyridine;5-deuterio-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;2-[3-(3,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;4-(3,5-dimethylphenyl)-2-phenylpyridine;pentakis(iridium);bis(2-(3-methylbenzene-6-id-1-yl)pyridine);tris(2-phenylpyridine)?
The IUPAC name of 2-(3-deuteriobenzene-6-id-1-yl)pyridine;2-(4-deuteriobenzene-6-id-1-yl)pyridine;5-deuterio-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;2-[3-(3,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;4-(3,5-dimethylphenyl)-2-phenylpyridine;pentakis(iridium);bis(2-(3-methylbenzene-6-id-1-yl)pyridine);tris(2-phenylpyridine) (CID 157132478) is 2-(3-deuteriobenzene-6-id-1-yl)pyridine;2-(4-deuteriobenzene-6-id-1-yl)pyridine;5-deuterio-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;2-[3-(3,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;4-(3,5-dimethylphenyl)-2-phenylpyridine;pentakis(iridium);bis(2-(3-methylbenzene-6-id-1-yl)pyridine);tris(2-phenylpyridine).
What is the SMILES notation for 2-(3-deuteriobenzene-6-id-1-yl)pyridine;2-(4-deuteriobenzene-6-id-1-yl)pyridine;5-deuterio-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;2-[3-(3,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;4-(3,5-dimethylphenyl)-2-phenylpyridine;pentakis(iridium);bis(2-(3-methylbenzene-6-id-1-yl)pyridine);tris(2-phenylpyridine)?
The canonical SMILES for 2-(3-deuteriobenzene-6-id-1-yl)pyridine;2-(4-deuteriobenzene-6-id-1-yl)pyridine;5-deuterio-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;2-[3-(3,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;4-(3,5-dimethylphenyl)-2-phenylpyridine;pentakis(iridium);bis(2-(3-methylbenzene-6-id-1-yl)pyridine);tris(2-phenylpyridine) is Cc1cc(C)cc(-c2cc[c-]c(-c3ccccn3)c2)c1.Cc1cc(C)cc(-c2ccnc(-c3[c-]cccc3)c2)c1.Cc1cc[c-]c(-c2ccccn2)c1.Cc1cc[c-]c(-c2ccccn2)c1.[2H]c1c[c-]c(-c2ccccn2)cc1.[2H]c1cc[c-]c(-c2ccccn2)c1.[2H]c1ccc(-c2[c-]ccc(-c3ccc(C)cc3)c2)nc1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 2-(3-deuteriobenzene-6-id-1-yl)pyridine;2-(4-deuteriobenzene-6-id-1-yl)pyridine;5-deuterio-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;2-[3-(3,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;4-(3,5-dimethylphenyl)-2-phenylpyridine;pentakis(iridium);bis(2-(3-methylbenzene-6-id-1-yl)pyridine);tris(2-phenylpyridine)?
The InChIKey is CFPZPKXBTQUORF-AGBKMPJVSA-N. The full InChI is InChI=1S/2C19H16N.C18H14N.2C12H10N.5C11H8N.5Ir/c1-14-10-15(2)12-18(11-14)16-6-5-7-17(13-16)19-8-3-4-9-20-19;1-14-10-15(2)12-18(11-14)17-8-9-20-19(13-17)16-6-4-3-5-7-16;1-14-8-10-15(11-9-14)16-5-4-6-17(13-16)18-7-2-3-12-19-18;2*1-10-5-4-6-11(9-10)12-7-2-3-8-13-12;5*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h2*3-6,8-13H,1-2H3;2-5,7-13H,1H3;2*2-5,7-9H,1H3;5*1-6,8-9H;;;;;/q10*-1;;;;;/i;;3D;;;2D;1D;;;;;;;;.
What are the key properties of 2-(3-deuteriobenzene-6-id-1-yl)pyridine;2-(4-deuteriobenzene-6-id-1-yl)pyridine;5-deuterio-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;2-[3-(3,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;4-(3,5-dimethylphenyl)-2-phenylpyridine;pentakis(iridium);bis(2-(3-methylbenzene-6-id-1-yl)pyridine);tris(2-phenylpyridine)?
2-(3-deuteriobenzene-6-id-1-yl)pyridine;2-(4-deuteriobenzene-6-id-1-yl)pyridine;5-deuterio-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;2-[3-(3,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;4-(3,5-dimethylphenyl)-2-phenylpyridine;pentakis(iridium);bis(2-(3-methylbenzene-6-id-1-yl)pyridine);tris(2-phenylpyridine) has a molecular weight of 2832.51 g/mol, XLogP of 32.64, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-deuteriobenzene-6-id-1-yl)pyridine;2-(4-deuteriobenzene-6-id-1-yl)pyridine;5-deuterio-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;2-[3-(3,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;4-(3,5-dimethylphenyl)-2-phenylpyridine;pentakis(iridium);bis(2-(3-methylbenzene-6-id-1-yl)pyridine);tris(2-phenylpyridine) is sourced from PubChem (CID 157132478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).