1-[2-(3H-dibenzofuran-3-id-4-yl)propan-2-yl]-3-phenylisoquinoline;2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;tris(iridium(3+));2-methyl-8-[2-(3-phenylisoquinolin-1-yl)propan-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;1-phenyl-3-(9-phenylfluoren-9-yl)isoquinoline;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine

C150H103Ir3N10O3 — CID 159963393

IUPAC1-[2-(3H-dibenzofuran-3-id-4-yl)propan-2-yl]-3-phenylisoquinoline;2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;tris(iridium(3+));2-methyl-8-[2-(3-phenylisoquinolin-1-yl)propan-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;1-phenyl-3-(9-phenylfluoren-9-yl)isoquinoline;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine
SMILESCC(C)(c1nc(-c2[c-]cccc2)cc2ccccc12)c1[c-]ccc2c1oc1ccccc12.Cc1cc(C)c(-c2ccccn2)[c-]c1-c1ccccn1.Cc1ccc2c(n1)oc1c(C(C)(C)c3nc(-c4[c-]cccc4)cc4ccccc34)[c-]ccc12.[Ir+3].[Ir+3].[Ir+3].[c-]1c(-c2ccccn2)cc2c(oc3ccccc32)c1-c1ccccn1.[c-]1c(-c2ccccn2)cccc1-c1ccccn1.[c-]1ccccc1-c1nc(C2(c3[c-]cccc3)c3ccccc3-c3ccccc32)cc2ccccc12
InChIInChI=1S/C34H21N.C30H22N2O.C30H21NO.C22H13N2O.C18H15N2.C16H11N2.3Ir/c1-3-13-24(14-4-1)33-27-18-8-7-15-25(27)23-32(35-33)34(26-16-5-2-6-17-26)30-21-11-9-19-28(30)29-20-10-12-22-31(29)34;1-19-16-17-24-23-14-9-15-25(27(23)33-29(24)31-19)30(2,3)28-22-13-8-7-12-21(22)18-26(32-28)20-10-5-4-6-11-20;1-30(2,25-17-10-16-24-23-15-8-9-18-27(23)32-28(24)25)29-22-14-7-6-13-21(22)19-26(31-29)20-11-4-3-5-12-20;1-2-10-21-16(7-1)17-13-15(19-8-3-5-11-23-19)14-18(22(17)25-21)20-9-4-6-12-24-20;1-13-11-14(2)16(18-8-4-6-10-20-18)12-15(13)17-7-3-5-9-19-17;1-3-10-17-15(8-1)13-6-5-7-14(12-13)16-9-2-4-11-18-16;;;/h1-13,15-16,18-23H;4-10,12-14,16-18H,1-3H3;3-11,13-16,18-19H,1-2H3;1-13H;3-11H,1-2H3;1-11H;;;/q3*-2;3*-1;3*+3
InChIKeyKEJLSDLITJQJSW-UHFFFAOYSA-N
MW2670.19 g/mol
LogP36.36
Rot. Bonds15

About 1-[2-(3H-dibenzofuran-3-id-4-yl)propan-2-yl]-3-phenylisoquinoline;2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;tris(iridium(3+));2-methyl-8-[2-(3-phenylisoquinolin-1-yl)propan-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;1-phenyl-3-(9-phenylfluoren-9-yl)isoquinoline;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine

1-[2-(3H-dibenzofuran-3-id-4-yl)propan-2-yl]-3-phenylisoquinoline;2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;tris(iridium(3+));2-methyl-8-[2-(3-phenylisoquinolin-1-yl)propan-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;1-phenyl-3-(9-phenylfluoren-9-yl)isoquinoline;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine (PubChem CID 159963393) has the molecular formula C150H103Ir3N10O3 and a molecular weight of 2670.19 g/mol. Its IUPAC name is 1-[2-(3H-dibenzofuran-3-id-4-yl)propan-2-yl]-3-phenylisoquinoline;2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;tris(iridium(3+));2-methyl-8-[2-(3-phenylisoquinolin-1-yl)propan-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;1-phenyl-3-(9-phenylfluoren-9-yl)isoquinoline;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine.

Molecular Properties

Compound Name1-[2-(3H-dibenzofuran-3-id-4-yl)propan-2-yl]-3-phenylisoquinoline;2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;tris(iridium(3+));2-methyl-8-[2-(3-phenylisoquinolin-1-yl)propan-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;1-phenyl-3-(9-phenylfluoren-9-yl)isoquinoline;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine
PubChem CID159963393
Molecular FormulaC150H103Ir3N10O3
Molecular Weight2670.19 g/mol
Exact Mass2670.71
IUPAC Name1-[2-(3H-dibenzofuran-3-id-4-yl)propan-2-yl]-3-phenylisoquinoline;2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;tris(iridium(3+));2-methyl-8-[2-(3-phenylisoquinolin-1-yl)propan-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;1-phenyl-3-(9-phenylfluoren-9-yl)isoquinoline;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine
SMILESCC(C)(c1nc(-c2[c-]cccc2)cc2ccccc12)c1[c-]ccc2c1oc1ccccc12.Cc1cc(C)c(-c2ccccn2)[c-]c1-c1ccccn1.Cc1ccc2c(n1)oc1c(C(C)(C)c3nc(-c4[c-]cccc4)cc4ccccc34)[c-]ccc12.[Ir+3].[Ir+3].[Ir+3].[c-]1c(-c2ccccn2)cc2c(oc3ccccc32)c1-c1ccccn1.[c-]1c(-c2ccccn2)cccc1-c1ccccn1.[c-]1ccccc1-c1nc(C2(c3[c-]cccc3)c3ccccc3-c3ccccc32)cc2ccccc12
InChIInChI=1S/C34H21N.C30H22N2O.C30H21NO.C22H13N2O.C18H15N2.C16H11N2.3Ir/c1-3-13-24(14-4-1)33-27-18-8-7-15-25(27)23-32(35-33)34(26-16-5-2-6-17-26)30-21-11-9-19-28(30)29-20-10-12-22-31(29)34;1-19-16-17-24-23-14-9-15-25(27(23)33-29(24)31-19)30(2,3)28-22-13-8-7-12-21(22)18-26(32-28)20-10-5-4-6-11-20;1-30(2,25-17-10-16-24-23-15-8-9-18-27(23)32-28(24)25)29-22-14-7-6-13-21(22)19-26(31-29)20-11-4-3-5-12-20;1-2-10-21-16(7-1)17-13-15(19-8-3-5-11-23-19)14-18(22(17)25-21)20-9-4-6-12-24-20;1-13-11-14(2)16(18-8-4-6-10-20-18)12-15(13)17-7-3-5-9-19-17;1-3-10-17-15(8-1)13-6-5-7-14(12-13)16-9-2-4-11-18-16;;;/h1-13,15-16,18-23H;4-10,12-14,16-18H,1-3H3;3-11,13-16,18-19H,1-2H3;1-13H;3-11H,1-2H3;1-11H;;;/q3*-2;3*-1;3*+3
InChIKeyKEJLSDLITJQJSW-UHFFFAOYSA-N
XLogP36.36
TPSA168.32 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002670.19
LogP ≤ 536.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 1-[2-(3H-dibenzofuran-3-id-4-yl)propan-2-yl]-3-phenylisoquinoline;2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;tris(iridium(3+));2-methyl-8-[2-(3-phenylisoquinolin-1-yl)propan-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;1-phenyl-3-(9-phenylfluoren-9-yl)isoquinoline;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine with MolForge

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Related Compounds

2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium(3+);bis(2-methyl-6-phenylpyridine)
CID 59500229
iridium;2-(6-phenyl-2-pyridinyl)phenol;2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine
CID 171438813
3-(3H-dibenzofuran-3-id-2-yloxy)-1-phenylisoquinoline;1-(3H-dibenzofuran-3-id-2-yl)-3-(phenoxy)isoquinoline;1-(3H-dibenzofuran-3-id-4-yl)-3-(phenoxy)isoquinoline;tris(2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);tris(iridium(3+))
CID 159918282
8-[4-(6-tert-butyl-3-methylnaphthalen-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;2-phenylpyridine
CID 176778862
iridium;2-methyl-8-[4-(5-methylquinolin-6-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenylpyridine
CID 176779152
bis(4-tert-butyl-2-(3H-dibenzofuran-3-id-4-yl)pyridine);iridium(3+);2-phenylpyridine
CID 167425260
iridium;2-methyl-8-(4-quinolin-6-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenylpyridine
CID 176779388
iridium;2-methyl-8-[5-methyl-4-(3-methyl-6-phenylnaphthalen-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenylpyridine
CID 176779542
8-[4-(4-fluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine;iridium;2-phenylpyridine
CID 162503281
2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium;4-methyl-5-phenyl-2-phenylpyridine
CID 59500289
iridium;2-methyl-8-[4-(4-methylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-6-phenylpyridine
CID 154590217
5-tert-butyl-2-phenylpyridine;iridium;8-pyridin-2-yl-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 153485041

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3H-dibenzofuran-3-id-4-yl)propan-2-yl]-3-phenylisoquinoline;2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;tris(iridium(3+));2-methyl-8-[2-(3-phenylisoquinolin-1-yl)propan-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;1-phenyl-3-(9-phenylfluoren-9-yl)isoquinoline;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine?
The IUPAC name of 1-[2-(3H-dibenzofuran-3-id-4-yl)propan-2-yl]-3-phenylisoquinoline;2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;tris(iridium(3+));2-methyl-8-[2-(3-phenylisoquinolin-1-yl)propan-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;1-phenyl-3-(9-phenylfluoren-9-yl)isoquinoline;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine (CID 159963393) is 1-[2-(3H-dibenzofuran-3-id-4-yl)propan-2-yl]-3-phenylisoquinoline;2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;tris(iridium(3+));2-methyl-8-[2-(3-phenylisoquinolin-1-yl)propan-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;1-phenyl-3-(9-phenylfluoren-9-yl)isoquinoline;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine.
What is the SMILES notation for 1-[2-(3H-dibenzofuran-3-id-4-yl)propan-2-yl]-3-phenylisoquinoline;2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;tris(iridium(3+));2-methyl-8-[2-(3-phenylisoquinolin-1-yl)propan-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;1-phenyl-3-(9-phenylfluoren-9-yl)isoquinoline;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine?
The canonical SMILES for 1-[2-(3H-dibenzofuran-3-id-4-yl)propan-2-yl]-3-phenylisoquinoline;2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;tris(iridium(3+));2-methyl-8-[2-(3-phenylisoquinolin-1-yl)propan-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;1-phenyl-3-(9-phenylfluoren-9-yl)isoquinoline;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine is CC(C)(c1nc(-c2[c-]cccc2)cc2ccccc12)c1[c-]ccc2c1oc1ccccc12.Cc1cc(C)c(-c2ccccn2)[c-]c1-c1ccccn1.Cc1ccc2c(n1)oc1c(C(C)(C)c3nc(-c4[c-]cccc4)cc4ccccc34)[c-]ccc12.[Ir+3].[Ir+3].[Ir+3].[c-]1c(-c2ccccn2)cc2c(oc3ccccc32)c1-c1ccccn1.[c-]1c(-c2ccccn2)cccc1-c1ccccn1.[c-]1ccccc1-c1nc(C2(c3[c-]cccc3)c3ccccc3-c3ccccc32)cc2ccccc12.
What is the InChIKey of 1-[2-(3H-dibenzofuran-3-id-4-yl)propan-2-yl]-3-phenylisoquinoline;2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;tris(iridium(3+));2-methyl-8-[2-(3-phenylisoquinolin-1-yl)propan-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;1-phenyl-3-(9-phenylfluoren-9-yl)isoquinoline;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine?
The InChIKey is KEJLSDLITJQJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21N.C30H22N2O.C30H21NO.C22H13N2O.C18H15N2.C16H11N2.3Ir/c1-3-13-24(14-4-1)33-27-18-8-7-15-25(27)23-32(35-33)34(26-16-5-2-6-17-26)30-21-11-9-19-28(30)29-20-10-12-22-31(29)34;1-19-16-17-24-23-14-9-15-25(27(23)33-29(24)31-19)30(2,3)28-22-13-8-7-12-21(22)18-26(32-28)20-10-5-4-6-11-20;1-30(2,25-17-10-16-24-23-15-8-9-18-27(23)32-28(24)25)29-22-14-7-6-13-21(22)19-26(31-29)20-11-4-3-5-12-20;1-2-10-21-16(7-1)17-13-15(19-8-3-5-11-23-19)14-18(22(17)25-21)20-9-4-6-12-24-20;1-13-11-14(2)16(18-8-4-6-10-20-18)12-15(13)17-7-3-5-9-19-17;1-3-10-17-15(8-1)13-6-5-7-14(12-13)16-9-2-4-11-18-16;;;/h1-13,15-16,18-23H;4-10,12-14,16-18H,1-3H3;3-11,13-16,18-19H,1-2H3;1-13H;3-11H,1-2H3;1-11H;;;/q3*-2;3*-1;3*+3.
What are the key properties of 1-[2-(3H-dibenzofuran-3-id-4-yl)propan-2-yl]-3-phenylisoquinoline;2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;tris(iridium(3+));2-methyl-8-[2-(3-phenylisoquinolin-1-yl)propan-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;1-phenyl-3-(9-phenylfluoren-9-yl)isoquinoline;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine?
1-[2-(3H-dibenzofuran-3-id-4-yl)propan-2-yl]-3-phenylisoquinoline;2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;tris(iridium(3+));2-methyl-8-[2-(3-phenylisoquinolin-1-yl)propan-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;1-phenyl-3-(9-phenylfluoren-9-yl)isoquinoline;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine has a molecular weight of 2670.19 g/mol, XLogP of 36.36, 15 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3H-dibenzofuran-3-id-4-yl)propan-2-yl]-3-phenylisoquinoline;2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;tris(iridium(3+));2-methyl-8-[2-(3-phenylisoquinolin-1-yl)propan-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;1-phenyl-3-(9-phenylfluoren-9-yl)isoquinoline;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine is sourced from PubChem (CID 159963393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).