bis(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);4-tert-butyl-2-phenylpyridine;tetrakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(5-methyl-2-phenylpyridine);2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine;5-(2-methylpropyl)-2-phenylpyridine

C135H124Ir4N8O-8 — CID 162214402

IUPACbis(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);4-tert-butyl-2-phenylpyridine;tetrakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(5-methyl-2-phenylpyridine);2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine;5-(2-methylpropyl)-2-phenylpyridine
SMILESCC(C)(C)c1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.CC(C)(C)c1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.CC(C)(C)c1ccnc(-c2[c-]cccc2)c1.CC(C)Cc1ccc(-c2[c-]cccc2)nc1.CC(C)Cc1cccc2c1oc1c(-c3ccccn3)[c-]ccc12.Cc1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C21H18NO.2C21H20N.C18H14N.2C15H16N.2C12H10N.4Ir/c1-14(2)13-15-7-5-8-16-17-9-6-10-18(21(17)23-20(15)16)19-11-3-4-12-22-19;2*1-21(2,3)19-12-13-22-20(15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;1-14-10-11-18(19-13-14)17-9-5-8-16(12-17)15-6-3-2-4-7-15;1-15(2,3)13-9-10-16-14(11-13)12-7-5-4-6-8-12;1-12(2)10-13-8-9-15(16-11-13)14-6-4-3-5-7-14;2*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;;/h3-9,11-12,14H,13H2,1-2H3;2*4-10,12-15H,1-3H3;2-8,10-13H,1H3;4-7,9-11H,1-3H3;3-6,8-9,11-12H,10H2,1-2H3;2*2-5,7-9H,1H3;;;;/q8*-1;;;;
InChIKeyVEWOFQLLSABHRI-UHFFFAOYSA-N
MW2643.40 g/mol
LogP34.50
Rot. Bonds15

About bis(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);4-tert-butyl-2-phenylpyridine;tetrakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(5-methyl-2-phenylpyridine);2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine;5-(2-methylpropyl)-2-phenylpyridine

bis(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);4-tert-butyl-2-phenylpyridine;tetrakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(5-methyl-2-phenylpyridine);2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine;5-(2-methylpropyl)-2-phenylpyridine (PubChem CID 162214402) has the molecular formula C135H124Ir4N8O-8 and a molecular weight of 2643.40 g/mol. Its IUPAC name is bis(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);4-tert-butyl-2-phenylpyridine;tetrakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(5-methyl-2-phenylpyridine);2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine;5-(2-methylpropyl)-2-phenylpyridine.

Molecular Properties

Compound Namebis(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);4-tert-butyl-2-phenylpyridine;tetrakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(5-methyl-2-phenylpyridine);2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine;5-(2-methylpropyl)-2-phenylpyridine
PubChem CID162214402
Molecular FormulaC135H124Ir4N8O-8
Molecular Weight2643.40 g/mol
Exact Mass2644.85
IUPAC Namebis(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);4-tert-butyl-2-phenylpyridine;tetrakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(5-methyl-2-phenylpyridine);2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine;5-(2-methylpropyl)-2-phenylpyridine
SMILESCC(C)(C)c1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.CC(C)(C)c1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.CC(C)(C)c1ccnc(-c2[c-]cccc2)c1.CC(C)Cc1ccc(-c2[c-]cccc2)nc1.CC(C)Cc1cccc2c1oc1c(-c3ccccn3)[c-]ccc12.Cc1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C21H18NO.2C21H20N.C18H14N.2C15H16N.2C12H10N.4Ir/c1-14(2)13-15-7-5-8-16-17-9-6-10-18(21(17)23-20(15)16)19-11-3-4-12-22-19;2*1-21(2,3)19-12-13-22-20(15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;1-14-10-11-18(19-13-14)17-9-5-8-16(12-17)15-6-3-2-4-7-15;1-15(2,3)13-9-10-16-14(11-13)12-7-5-4-6-8-12;1-12(2)10-13-8-9-15(16-11-13)14-6-4-3-5-7-14;2*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;;/h3-9,11-12,14H,13H2,1-2H3;2*4-10,12-15H,1-3H3;2-8,10-13H,1H3;4-7,9-11H,1-3H3;3-6,8-9,11-12H,10H2,1-2H3;2*2-5,7-9H,1H3;;;;/q8*-1;;;;
InChIKeyVEWOFQLLSABHRI-UHFFFAOYSA-N
XLogP34.50
TPSA116.26 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms148
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002643.40
LogP ≤ 534.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze bis(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);4-tert-butyl-2-phenylpyridine;tetrakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(5-methyl-2-phenylpyridine);2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine;5-(2-methylpropyl)-2-phenylpyridine with MolForge

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Related Compounds

4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(5-tert-butyl-2-phenylpyridine);2-(3H-dibenzofuran-3-id-4-yl)pyridine;pentakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine;5-(2-methylpropyl)-2-phenylpyridine
CID 160554173
4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)-6-methylpyridine);2-(3H-dibenzofuran-3-id-2-yl)pyridine;hexakis(iridium);5-methyl-2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(5-methyl-2-phenylpyridine);bis(2-phenylpyridine)
CID 158436561
4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tris(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine)
CID 158255265
4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(3,5-dimethylphenyl)-2-phenylpyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)-4-phenylpyridine;2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine;2-(3-phenylbenzene-6-id-1-yl)-5-propan-2-ylpyridine;bis(2-phenylpyridine)
CID 159340101
4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;pentakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)-5-propan-2-ylpyridine;bis(2-phenylpyridine)
CID 159954151
4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium
CID 167425271
tris(2-(3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine);2-(3H-dibenzofuran-3-id-4-yl)-4-[1-(4-phenylphenyl)ethyl]pyridine;tetrakis(iridium);5-methyl-2-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)pyridine;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine
CID 163930237
tetrakis(iridium);4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-phenylpyridine;5-(2-methylpropyl)-2-phenylpyridine
CID 159542369
bis(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);tris(iridium);2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine)
CID 160793818
4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;iridium;4-pyridin-2-yl-3H-xanthen-3-id-9-one
CID 171590578
bis(iridium);2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;bis(5-methyl-2-phenylpyridine);2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine
CID 163719689
2-[3-[4-(2,2-dimethylpropyl)phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;bis(2-[3-[4-(2-methylpropyl)phenyl]benzene-6-id-1-yl]pyridine);2-(3-phenylbenzene-6-id-1-yl)pyridine;tris(2-phenylpyridine)
CID 160708455

Frequently Asked Questions

What is the IUPAC name of bis(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);4-tert-butyl-2-phenylpyridine;tetrakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(5-methyl-2-phenylpyridine);2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine;5-(2-methylpropyl)-2-phenylpyridine?
The IUPAC name of bis(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);4-tert-butyl-2-phenylpyridine;tetrakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(5-methyl-2-phenylpyridine);2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine;5-(2-methylpropyl)-2-phenylpyridine (CID 162214402) is bis(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);4-tert-butyl-2-phenylpyridine;tetrakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(5-methyl-2-phenylpyridine);2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine;5-(2-methylpropyl)-2-phenylpyridine.
What is the SMILES notation for bis(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);4-tert-butyl-2-phenylpyridine;tetrakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(5-methyl-2-phenylpyridine);2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine;5-(2-methylpropyl)-2-phenylpyridine?
The canonical SMILES for bis(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);4-tert-butyl-2-phenylpyridine;tetrakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(5-methyl-2-phenylpyridine);2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine;5-(2-methylpropyl)-2-phenylpyridine is CC(C)(C)c1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.CC(C)(C)c1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.CC(C)(C)c1ccnc(-c2[c-]cccc2)c1.CC(C)Cc1ccc(-c2[c-]cccc2)nc1.CC(C)Cc1cccc2c1oc1c(-c3ccccn3)[c-]ccc12.Cc1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of bis(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);4-tert-butyl-2-phenylpyridine;tetrakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(5-methyl-2-phenylpyridine);2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine;5-(2-methylpropyl)-2-phenylpyridine?
The InChIKey is VEWOFQLLSABHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18NO.2C21H20N.C18H14N.2C15H16N.2C12H10N.4Ir/c1-14(2)13-15-7-5-8-16-17-9-6-10-18(21(17)23-20(15)16)19-11-3-4-12-22-19;2*1-21(2,3)19-12-13-22-20(15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;1-14-10-11-18(19-13-14)17-9-5-8-16(12-17)15-6-3-2-4-7-15;1-15(2,3)13-9-10-16-14(11-13)12-7-5-4-6-8-12;1-12(2)10-13-8-9-15(16-11-13)14-6-4-3-5-7-14;2*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;;/h3-9,11-12,14H,13H2,1-2H3;2*4-10,12-15H,1-3H3;2-8,10-13H,1H3;4-7,9-11H,1-3H3;3-6,8-9,11-12H,10H2,1-2H3;2*2-5,7-9H,1H3;;;;/q8*-1;;;;.
What are the key properties of bis(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);4-tert-butyl-2-phenylpyridine;tetrakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(5-methyl-2-phenylpyridine);2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine;5-(2-methylpropyl)-2-phenylpyridine?
bis(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);4-tert-butyl-2-phenylpyridine;tetrakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(5-methyl-2-phenylpyridine);2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine;5-(2-methylpropyl)-2-phenylpyridine has a molecular weight of 2643.40 g/mol, XLogP of 34.50, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);4-tert-butyl-2-phenylpyridine;tetrakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(5-methyl-2-phenylpyridine);2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine;5-(2-methylpropyl)-2-phenylpyridine is sourced from PubChem (CID 162214402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).