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

C173H162Ir5N10O2-10 — CID 160554173

IUPAC4-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
SMILESCC(C)(C)c1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.CC(C)(C)c1ccc(-c2[c-]cccc2)nc1.CC(C)(C)c1ccc(-c2[c-]cccc2)nc1.CC(C)(C)c1ccc(-c2[c-]cccc2)nc1.CC(C)(C)c1ccc(-c2[c-]cccc2)nc1.CC(C)(C)c1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.CC(C)Cc1ccc(-c2[c-]cccc2)nc1.CC(C)Cc1cccc2c1oc1c(-c3ccccn3)[c-]ccc12.Cc1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1
InChIInChI=1S/C21H18NO.2C21H20N.C18H14N.C17H10NO.5C15H16N.5Ir/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;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;1-21(2,3)19-12-13-20(22-15-19)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;1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;4*1-15(2,3)13-9-10-14(16-11-13)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;;;;;/h3-9,11-12,14H,13H2,1-2H3;2*4-10,12-15H,1-3H3;2-8,10-13H,1H3;1-7,9-11H;4*4-7,9-11H,1-3H3;3-6,8-9,11-12H,10H2,1-2H3;;;;;/q10*-1;;;;;
InChIKeyDRLPFHYKHUGCAH-UHFFFAOYSA-N
MW3374.35 g/mol
LogP44.77
Rot. Bonds17

About 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

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 (PubChem CID 160554173) has the molecular formula C173H162Ir5N10O2-10 and a molecular weight of 3374.35 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID160554173
Molecular FormulaC173H162Ir5N10O2-10
Molecular Weight3374.35 g/mol
Exact Mass3376.11
IUPAC Name4-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
SMILESCC(C)(C)c1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.CC(C)(C)c1ccc(-c2[c-]cccc2)nc1.CC(C)(C)c1ccc(-c2[c-]cccc2)nc1.CC(C)(C)c1ccc(-c2[c-]cccc2)nc1.CC(C)(C)c1ccc(-c2[c-]cccc2)nc1.CC(C)(C)c1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.CC(C)Cc1ccc(-c2[c-]cccc2)nc1.CC(C)Cc1cccc2c1oc1c(-c3ccccn3)[c-]ccc12.Cc1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1
InChIInChI=1S/C21H18NO.2C21H20N.C18H14N.C17H10NO.5C15H16N.5Ir/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;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;1-21(2,3)19-12-13-20(22-15-19)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;1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;4*1-15(2,3)13-9-10-14(16-11-13)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;;;;;/h3-9,11-12,14H,13H2,1-2H3;2*4-10,12-15H,1-3H3;2-8,10-13H,1H3;1-7,9-11H;4*4-7,9-11H,1-3H3;3-6,8-9,11-12H,10H2,1-2H3;;;;;/q10*-1;;;;;
InChIKeyDRLPFHYKHUGCAH-UHFFFAOYSA-N
XLogP44.77
TPSA155.18 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms190
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003374.35
LogP ≤ 544.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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;2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium
CID 167425271
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
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
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
tris(2-(3H-dibenzofuran-3-id-4-yl)pyridine);tetrakis(iridium);4-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;bis(5-methyl-2-phenylpyridine);bis(2-phenylpyridine)
CID 158275223
4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;iridium;4-pyridin-2-yl-3H-xanthen-3-id-9-one
CID 171590578
2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium;5-methyl-2-phenylpyridine
CID 140775803
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
bis(4-tert-butyl-2-(3H-dibenzofuran-3-id-4-yl)pyridine);iridium(3+);2-phenylpyridine
CID 167425260

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.CC(C)(C)c1ccc(-c2[c-]cccc2)nc1.CC(C)(C)c1ccc(-c2[c-]cccc2)nc1.CC(C)(C)c1ccc(-c2[c-]cccc2)nc1.CC(C)(C)c1ccc(-c2[c-]cccc2)nc1.CC(C)(C)c1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.CC(C)Cc1ccc(-c2[c-]cccc2)nc1.CC(C)Cc1cccc2c1oc1c(-c3ccccn3)[c-]ccc12.Cc1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.
What is the InChIKey of 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?
The InChIKey is DRLPFHYKHUGCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18NO.2C21H20N.C18H14N.C17H10NO.5C15H16N.5Ir/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;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;1-21(2,3)19-12-13-20(22-15-19)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;1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;4*1-15(2,3)13-9-10-14(16-11-13)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;;;;;/h3-9,11-12,14H,13H2,1-2H3;2*4-10,12-15H,1-3H3;2-8,10-13H,1H3;1-7,9-11H;4*4-7,9-11H,1-3H3;3-6,8-9,11-12H,10H2,1-2H3;;;;;/q10*-1;;;;;.
What are the key properties of 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?
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 has a molecular weight of 3374.35 g/mol, XLogP of 44.77, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160554173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).