2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine);2-(3H-dibenzofuran-3-id-4-yl)pyridine;5-(4-fluorophenyl)-4-methyl-2-phenyl-3,4-dihydropyridine;pentakis(iridium);5-methyl-2-phenylpyridine;tetrakis(2-phenylpyridine)

C151H115FIr5N10O4-10 — CID 157214448

IUPAC2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine);2-(3H-dibenzofuran-3-id-4-yl)pyridine;5-(4-fluorophenyl)-4-methyl-2-phenyl-3,4-dihydropyridine;pentakis(iridium);5-methyl-2-phenylpyridine;tetrakis(2-phenylpyridine)
SMILESCC(C)c1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.CC(C)c1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.CC1CC(c2[c-]cccc2)=NC=C1c1ccc(F)cc1.Cc1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])C([2H])(c1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1)C([2H])([2H])[2H].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/3C20H16NO.C18H15FN.C17H10NO.C12H10N.4C11H8N.5Ir/c3*1-13(2)14-10-11-21-18(12-14)17-8-5-7-16-15-6-3-4-9-19(15)22-20(16)17;1-13-11-18(15-5-3-2-4-6-15)20-12-17(13)14-7-9-16(19)10-8-14;1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h3*3-7,9-13H,1-2H3;2-5,7-10,12-13H,11H2,1H3;1-7,9-11H;2-5,7-9H,1H3;4*1-6,8-9H;;;;;/q10*-1;;;;;/i1D3,2D3,13D;;;;;;;;;;;;;;
InChIKeyXRRPIKKAHSRWSV-UVIAPHEESA-N
MW3120.77 g/mol
LogP38.70
Rot. Bonds16

About 2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine);2-(3H-dibenzofuran-3-id-4-yl)pyridine;5-(4-fluorophenyl)-4-methyl-2-phenyl-3,4-dihydropyridine;pentakis(iridium);5-methyl-2-phenylpyridine;tetrakis(2-phenylpyridine)

2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine);2-(3H-dibenzofuran-3-id-4-yl)pyridine;5-(4-fluorophenyl)-4-methyl-2-phenyl-3,4-dihydropyridine;pentakis(iridium);5-methyl-2-phenylpyridine;tetrakis(2-phenylpyridine) (PubChem CID 157214448) has the molecular formula C151H115FIr5N10O4-10 and a molecular weight of 3120.77 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine);2-(3H-dibenzofuran-3-id-4-yl)pyridine;5-(4-fluorophenyl)-4-methyl-2-phenyl-3,4-dihydropyridine;pentakis(iridium);5-methyl-2-phenylpyridine;tetrakis(2-phenylpyridine).

Molecular Properties

Compound Name2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine);2-(3H-dibenzofuran-3-id-4-yl)pyridine;5-(4-fluorophenyl)-4-methyl-2-phenyl-3,4-dihydropyridine;pentakis(iridium);5-methyl-2-phenylpyridine;tetrakis(2-phenylpyridine)
PubChem CID157214448
Molecular FormulaC151H115FIr5N10O4-10
Molecular Weight3120.77 g/mol
Exact Mass3122.77
IUPAC Name2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine);2-(3H-dibenzofuran-3-id-4-yl)pyridine;5-(4-fluorophenyl)-4-methyl-2-phenyl-3,4-dihydropyridine;pentakis(iridium);5-methyl-2-phenylpyridine;tetrakis(2-phenylpyridine)
SMILESCC(C)c1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.CC(C)c1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.CC1CC(c2[c-]cccc2)=NC=C1c1ccc(F)cc1.Cc1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])C([2H])(c1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1)C([2H])([2H])[2H].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/3C20H16NO.C18H15FN.C17H10NO.C12H10N.4C11H8N.5Ir/c3*1-13(2)14-10-11-21-18(12-14)17-8-5-7-16-15-6-3-4-9-19(15)22-20(16)17;1-13-11-18(15-5-3-2-4-6-15)20-12-17(13)14-7-9-16(19)10-8-14;1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h3*3-7,9-13H,1-2H3;2-5,7-10,12-13H,11H2,1H3;1-7,9-11H;2-5,7-9H,1H3;4*1-6,8-9H;;;;;/q10*-1;;;;;/i1D3,2D3,13D;;;;;;;;;;;;;;
InChIKeyXRRPIKKAHSRWSV-UVIAPHEESA-N
XLogP38.70
TPSA180.93 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003120.77
LogP ≤ 538.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine);2-(3H-dibenzofuran-3-id-4-yl)pyridine;5-(4-fluorophenyl)-4-methyl-2-phenyl-3,4-dihydropyridine;pentakis(iridium);5-methyl-2-phenylpyridine;tetrakis(2-phenylpyridine) with MolForge

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Related Compounds

2-[3-Dibenzofuran-4-yl-4-[2-[3-[2-[2-dibenzofuran-4-yl-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;iridium(3+)
CID 153319870
2-[4-[2-[3,5-Bis[2-(2-dibenzofuran-4-yl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;iridium(3+)
CID 153319985
2-[3-Dibenzofuran-1-yl-4-[2-[3-[2-[2-dibenzofuran-1-yl-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;iridium(3+)
CID 153320037
2-(3H-dibenzofuran-3-id-4-yl)-4-(trifluoromethyl)pyridine;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;iridium
CID 153433195
iridium;iridium(3+);methanol;2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(6-methyldibenzofuran-4-yl)pyridine;tris(2-phenylpyridine);trifluoromethanesulfonate
CID 157068741
2-(3H-dibenzofuran-3-id-4-yl)-4-(3,4-difluorophenyl)pyridine;2-dibenzofuran-4-yl-4-(3,4-difluorophenyl)pyridine;bis(iridium);methanol;bis(2-phenylpyridine);trifluoromethanesulfonate
CID 157092046
4-[3,5-Bis[6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(2,3,5,6-tetrafluoro-4-methylphenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[8-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine
CID 157150281
5-(deuteriomethyl)-2-phenylpyridine;bis(iridium);methanol;5-methyl-2-phenylpyridine;8-[5-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenyl-5-(trideuteriomethyl)pyridine;8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine;trifluoromethanesulfonic acid
CID 157156993
bis(iridium);methanol;5-methyl-2-phenylpyridine;8-[5-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(2-phenyl-5-(trideuteriomethyl)pyridine);8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine;trifluoromethanesulfonic acid
CID 157156994
2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;2-dibenzofuran-4-yl-4-propan-2-ylpyridine;bis(iridium(3+));methanol;tetrakis(2-phenyl-5-propan-2-ylpyridine);trifluoromethanesulfonate
CID 157195204
8-[2-[2-[3-Methyl-5-(trifluoromethyl)phenyl]-4-pyridinyl]phenyl]-4-[4-[8-[2-[2-[3-methyl-5-(trifluoromethyl)phenyl]-4-pyridinyl]phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;8-[2-[5-[3-methyl-5-(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]-4-[4-[8-[2-[5-[3-methyl-5-(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;8-[2-[6-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]-4-[4-[8-[2-[6-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 157196051
2-[4-[2-[3,5-Bis[2-(2-dibenzofuran-4-yl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;4-tert-butyl-2-[4-[2-[3-[2-[4-(5-tert-butyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;tris(iridium(3+))
CID 157239422

Frequently Asked Questions

What is the IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine);2-(3H-dibenzofuran-3-id-4-yl)pyridine;5-(4-fluorophenyl)-4-methyl-2-phenyl-3,4-dihydropyridine;pentakis(iridium);5-methyl-2-phenylpyridine;tetrakis(2-phenylpyridine)?
The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine);2-(3H-dibenzofuran-3-id-4-yl)pyridine;5-(4-fluorophenyl)-4-methyl-2-phenyl-3,4-dihydropyridine;pentakis(iridium);5-methyl-2-phenylpyridine;tetrakis(2-phenylpyridine) (CID 157214448) is 2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine);2-(3H-dibenzofuran-3-id-4-yl)pyridine;5-(4-fluorophenyl)-4-methyl-2-phenyl-3,4-dihydropyridine;pentakis(iridium);5-methyl-2-phenylpyridine;tetrakis(2-phenylpyridine).
What is the SMILES notation for 2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine);2-(3H-dibenzofuran-3-id-4-yl)pyridine;5-(4-fluorophenyl)-4-methyl-2-phenyl-3,4-dihydropyridine;pentakis(iridium);5-methyl-2-phenylpyridine;tetrakis(2-phenylpyridine)?
The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine);2-(3H-dibenzofuran-3-id-4-yl)pyridine;5-(4-fluorophenyl)-4-methyl-2-phenyl-3,4-dihydropyridine;pentakis(iridium);5-methyl-2-phenylpyridine;tetrakis(2-phenylpyridine) is CC(C)c1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.CC(C)c1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.CC1CC(c2[c-]cccc2)=NC=C1c1ccc(F)cc1.Cc1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])C([2H])(c1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1)C([2H])([2H])[2H].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine);2-(3H-dibenzofuran-3-id-4-yl)pyridine;5-(4-fluorophenyl)-4-methyl-2-phenyl-3,4-dihydropyridine;pentakis(iridium);5-methyl-2-phenylpyridine;tetrakis(2-phenylpyridine)?
The InChIKey is XRRPIKKAHSRWSV-UVIAPHEESA-N. The full InChI is InChI=1S/3C20H16NO.C18H15FN.C17H10NO.C12H10N.4C11H8N.5Ir/c3*1-13(2)14-10-11-21-18(12-14)17-8-5-7-16-15-6-3-4-9-19(15)22-20(16)17;1-13-11-18(15-5-3-2-4-6-15)20-12-17(13)14-7-9-16(19)10-8-14;1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h3*3-7,9-13H,1-2H3;2-5,7-10,12-13H,11H2,1H3;1-7,9-11H;2-5,7-9H,1H3;4*1-6,8-9H;;;;;/q10*-1;;;;;/i1D3,2D3,13D;;;;;;;;;;;;;;.
What are the key properties of 2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine);2-(3H-dibenzofuran-3-id-4-yl)pyridine;5-(4-fluorophenyl)-4-methyl-2-phenyl-3,4-dihydropyridine;pentakis(iridium);5-methyl-2-phenylpyridine;tetrakis(2-phenylpyridine)?
2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine);2-(3H-dibenzofuran-3-id-4-yl)pyridine;5-(4-fluorophenyl)-4-methyl-2-phenyl-3,4-dihydropyridine;pentakis(iridium);5-methyl-2-phenylpyridine;tetrakis(2-phenylpyridine) has a molecular weight of 3120.77 g/mol, XLogP of 38.70, 16 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine);2-(3H-dibenzofuran-3-id-4-yl)pyridine;5-(4-fluorophenyl)-4-methyl-2-phenyl-3,4-dihydropyridine;pentakis(iridium);5-methyl-2-phenylpyridine;tetrakis(2-phenylpyridine) is sourced from PubChem (CID 157214448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).