2-(3-dibenzofuran-3-ylbenzene-6-id-1-yl)pyridine;4-(9,9-dimethylfluoren-2-yl)-2-phenylpyridine;pentakis(iridium(3+));4-(6-methylnaphthalen-2-yl)-2-phenylpyridine;bis(2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine);2-[3-[4-(4-methylphenyl)phenyl]benzene-6-id-1-yl]pyridine;tris(4-(4-methylphenyl)-2-phenylpyridine);2-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyridine;pentakis(2-phenylpyridine)

C263H194Ir5N15O — CID 157103976

IUPAC2-(3-dibenzofuran-3-ylbenzene-6-id-1-yl)pyridine;4-(9,9-dimethylfluoren-2-yl)-2-phenylpyridine;pentakis(iridium(3+));4-(6-methylnaphthalen-2-yl)-2-phenylpyridine;bis(2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine);2-[3-[4-(4-methylphenyl)phenyl]benzene-6-id-1-yl]pyridine;tris(4-(4-methylphenyl)-2-phenylpyridine);2-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyridine;pentakis(2-phenylpyridine)
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccnc(-c4[c-]cccc4)c3)cc21.Cc1ccc(-c2cc[c-]c(-c3ccccn3)c2)cc1.Cc1ccc(-c2cc[c-]c(-c3ccccn3)c2)cc1.Cc1ccc(-c2ccc(-c3cc[c-]c(-c4ccccn4)c3)cc2)cc1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.Cc1ccc2cc(-c3ccnc(-c4[c-]cccc4)c3)ccc2c1.[Ir+3].[Ir+3].[Ir+3].[Ir+3].[Ir+3].[c-]1ccc(-c2ccc(-c3ccccc3)cc2)cc1-c1ccccn1.[c-]1ccc(-c2ccc3c(c2)oc2ccccc23)cc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C26H20N.C24H18N.C23H14NO.C23H16N.C22H16N.5C18H14N.5C11H8N.5Ir/c1-26(2)23-11-7-6-10-21(23)22-13-12-19(16-24(22)26)20-14-15-27-25(17-20)18-8-4-3-5-9-18;1-18-8-10-19(11-9-18)20-12-14-21(15-13-20)22-5-4-6-23(17-22)24-7-2-3-16-25-24;1-2-10-22-19(8-1)20-12-11-17(15-23(20)25-22)16-6-5-7-18(14-16)21-9-3-4-13-24-21;1-2-7-18(8-3-1)19-12-14-20(15-13-19)21-9-6-10-22(17-21)23-11-4-5-16-24-23;1-16-7-8-19-14-20(10-9-18(19)13-16)21-11-12-23-22(15-21)17-5-3-2-4-6-17;2*1-14-8-10-15(11-9-14)16-5-4-6-17(13-16)18-7-2-3-12-19-18;3*1-14-7-9-15(10-8-14)17-11-12-19-18(13-17)16-5-3-2-4-6-16;5*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h3-8,10-17H,1-2H3;2-5,7-17H,1H3;1-6,8-15H;1-9,11-17H;2-5,7-15H,1H3;5*2-5,7-13H,1H3;5*1-6,8-9H;;;;;/q15*-1;5*+3
InChIKeyJJNJYGSHCHNMBM-UHFFFAOYSA-N
MW4541.63 g/mol
LogP65.74
Rot. Bonds27

About 2-(3-dibenzofuran-3-ylbenzene-6-id-1-yl)pyridine;4-(9,9-dimethylfluoren-2-yl)-2-phenylpyridine;pentakis(iridium(3+));4-(6-methylnaphthalen-2-yl)-2-phenylpyridine;bis(2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine);2-[3-[4-(4-methylphenyl)phenyl]benzene-6-id-1-yl]pyridine;tris(4-(4-methylphenyl)-2-phenylpyridine);2-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyridine;pentakis(2-phenylpyridine)

2-(3-dibenzofuran-3-ylbenzene-6-id-1-yl)pyridine;4-(9,9-dimethylfluoren-2-yl)-2-phenylpyridine;pentakis(iridium(3+));4-(6-methylnaphthalen-2-yl)-2-phenylpyridine;bis(2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine);2-[3-[4-(4-methylphenyl)phenyl]benzene-6-id-1-yl]pyridine;tris(4-(4-methylphenyl)-2-phenylpyridine);2-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyridine;pentakis(2-phenylpyridine) (PubChem CID 157103976) has the molecular formula C263H194Ir5N15O and a molecular weight of 4541.63 g/mol. Its IUPAC name is 2-(3-dibenzofuran-3-ylbenzene-6-id-1-yl)pyridine;4-(9,9-dimethylfluoren-2-yl)-2-phenylpyridine;pentakis(iridium(3+));4-(6-methylnaphthalen-2-yl)-2-phenylpyridine;bis(2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine);2-[3-[4-(4-methylphenyl)phenyl]benzene-6-id-1-yl]pyridine;tris(4-(4-methylphenyl)-2-phenylpyridine);2-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyridine;pentakis(2-phenylpyridine).

Molecular Properties

Compound Name2-(3-dibenzofuran-3-ylbenzene-6-id-1-yl)pyridine;4-(9,9-dimethylfluoren-2-yl)-2-phenylpyridine;pentakis(iridium(3+));4-(6-methylnaphthalen-2-yl)-2-phenylpyridine;bis(2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine);2-[3-[4-(4-methylphenyl)phenyl]benzene-6-id-1-yl]pyridine;tris(4-(4-methylphenyl)-2-phenylpyridine);2-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyridine;pentakis(2-phenylpyridine)
PubChem CID157103976
Molecular FormulaC263H194Ir5N15O
Molecular Weight4541.63 g/mol
Exact Mass4542.37
IUPAC Name2-(3-dibenzofuran-3-ylbenzene-6-id-1-yl)pyridine;4-(9,9-dimethylfluoren-2-yl)-2-phenylpyridine;pentakis(iridium(3+));4-(6-methylnaphthalen-2-yl)-2-phenylpyridine;bis(2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine);2-[3-[4-(4-methylphenyl)phenyl]benzene-6-id-1-yl]pyridine;tris(4-(4-methylphenyl)-2-phenylpyridine);2-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyridine;pentakis(2-phenylpyridine)
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccnc(-c4[c-]cccc4)c3)cc21.Cc1ccc(-c2cc[c-]c(-c3ccccn3)c2)cc1.Cc1ccc(-c2cc[c-]c(-c3ccccn3)c2)cc1.Cc1ccc(-c2ccc(-c3cc[c-]c(-c4ccccn4)c3)cc2)cc1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.Cc1ccc2cc(-c3ccnc(-c4[c-]cccc4)c3)ccc2c1.[Ir+3].[Ir+3].[Ir+3].[Ir+3].[Ir+3].[c-]1ccc(-c2ccc(-c3ccccc3)cc2)cc1-c1ccccn1.[c-]1ccc(-c2ccc3c(c2)oc2ccccc23)cc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C26H20N.C24H18N.C23H14NO.C23H16N.C22H16N.5C18H14N.5C11H8N.5Ir/c1-26(2)23-11-7-6-10-21(23)22-13-12-19(16-24(22)26)20-14-15-27-25(17-20)18-8-4-3-5-9-18;1-18-8-10-19(11-9-18)20-12-14-21(15-13-20)22-5-4-6-23(17-22)24-7-2-3-16-25-24;1-2-10-22-19(8-1)20-12-11-17(15-23(20)25-22)16-6-5-7-18(14-16)21-9-3-4-13-24-21;1-2-7-18(8-3-1)19-12-14-20(15-13-19)21-9-6-10-22(17-21)23-11-4-5-16-24-23;1-16-7-8-19-14-20(10-9-18(19)13-16)21-11-12-23-22(15-21)17-5-3-2-4-6-17;2*1-14-8-10-15(11-9-14)16-5-4-6-17(13-16)18-7-2-3-12-19-18;3*1-14-7-9-15(10-8-14)17-11-12-19-18(13-17)16-5-3-2-4-6-16;5*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h3-8,10-17H,1-2H3;2-5,7-17H,1H3;1-6,8-15H;1-9,11-17H;2-5,7-15H,1H3;5*2-5,7-13H,1H3;5*1-6,8-9H;;;;;/q15*-1;5*+3
InChIKeyJJNJYGSHCHNMBM-UHFFFAOYSA-N
XLogP65.74
TPSA206.49 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds27
Heavy Atoms284
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004541.63
LogP ≤ 565.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 2-(3-dibenzofuran-3-ylbenzene-6-id-1-yl)pyridine;4-(9,9-dimethylfluoren-2-yl)-2-phenylpyridine;pentakis(iridium(3+));4-(6-methylnaphthalen-2-yl)-2-phenylpyridine;bis(2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine);2-[3-[4-(4-methylphenyl)phenyl]benzene-6-id-1-yl]pyridine;tris(4-(4-methylphenyl)-2-phenylpyridine);2-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyridine;pentakis(2-phenylpyridine) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3-dibenzofuran-3-ylbenzene-6-id-1-yl)pyridine;4-(9,9-dimethylfluoren-2-yl)-2-phenylpyridine;pentakis(iridium(3+));4-(6-methylnaphthalen-2-yl)-2-phenylpyridine;bis(2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine);2-[3-[4-(4-methylphenyl)phenyl]benzene-6-id-1-yl]pyridine;tris(4-(4-methylphenyl)-2-phenylpyridine);2-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyridine;pentakis(2-phenylpyridine)?
The IUPAC name of 2-(3-dibenzofuran-3-ylbenzene-6-id-1-yl)pyridine;4-(9,9-dimethylfluoren-2-yl)-2-phenylpyridine;pentakis(iridium(3+));4-(6-methylnaphthalen-2-yl)-2-phenylpyridine;bis(2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine);2-[3-[4-(4-methylphenyl)phenyl]benzene-6-id-1-yl]pyridine;tris(4-(4-methylphenyl)-2-phenylpyridine);2-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyridine;pentakis(2-phenylpyridine) (CID 157103976) is 2-(3-dibenzofuran-3-ylbenzene-6-id-1-yl)pyridine;4-(9,9-dimethylfluoren-2-yl)-2-phenylpyridine;pentakis(iridium(3+));4-(6-methylnaphthalen-2-yl)-2-phenylpyridine;bis(2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine);2-[3-[4-(4-methylphenyl)phenyl]benzene-6-id-1-yl]pyridine;tris(4-(4-methylphenyl)-2-phenylpyridine);2-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyridine;pentakis(2-phenylpyridine).
What is the SMILES notation for 2-(3-dibenzofuran-3-ylbenzene-6-id-1-yl)pyridine;4-(9,9-dimethylfluoren-2-yl)-2-phenylpyridine;pentakis(iridium(3+));4-(6-methylnaphthalen-2-yl)-2-phenylpyridine;bis(2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine);2-[3-[4-(4-methylphenyl)phenyl]benzene-6-id-1-yl]pyridine;tris(4-(4-methylphenyl)-2-phenylpyridine);2-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyridine;pentakis(2-phenylpyridine)?
The canonical SMILES for 2-(3-dibenzofuran-3-ylbenzene-6-id-1-yl)pyridine;4-(9,9-dimethylfluoren-2-yl)-2-phenylpyridine;pentakis(iridium(3+));4-(6-methylnaphthalen-2-yl)-2-phenylpyridine;bis(2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine);2-[3-[4-(4-methylphenyl)phenyl]benzene-6-id-1-yl]pyridine;tris(4-(4-methylphenyl)-2-phenylpyridine);2-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyridine;pentakis(2-phenylpyridine) is CC1(C)c2ccccc2-c2ccc(-c3ccnc(-c4[c-]cccc4)c3)cc21.Cc1ccc(-c2cc[c-]c(-c3ccccn3)c2)cc1.Cc1ccc(-c2cc[c-]c(-c3ccccn3)c2)cc1.Cc1ccc(-c2ccc(-c3cc[c-]c(-c4ccccn4)c3)cc2)cc1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.Cc1ccc2cc(-c3ccnc(-c4[c-]cccc4)c3)ccc2c1.[Ir+3].[Ir+3].[Ir+3].[Ir+3].[Ir+3].[c-]1ccc(-c2ccc(-c3ccccc3)cc2)cc1-c1ccccn1.[c-]1ccc(-c2ccc3c(c2)oc2ccccc23)cc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 2-(3-dibenzofuran-3-ylbenzene-6-id-1-yl)pyridine;4-(9,9-dimethylfluoren-2-yl)-2-phenylpyridine;pentakis(iridium(3+));4-(6-methylnaphthalen-2-yl)-2-phenylpyridine;bis(2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine);2-[3-[4-(4-methylphenyl)phenyl]benzene-6-id-1-yl]pyridine;tris(4-(4-methylphenyl)-2-phenylpyridine);2-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyridine;pentakis(2-phenylpyridine)?
The InChIKey is JJNJYGSHCHNMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N.C24H18N.C23H14NO.C23H16N.C22H16N.5C18H14N.5C11H8N.5Ir/c1-26(2)23-11-7-6-10-21(23)22-13-12-19(16-24(22)26)20-14-15-27-25(17-20)18-8-4-3-5-9-18;1-18-8-10-19(11-9-18)20-12-14-21(15-13-20)22-5-4-6-23(17-22)24-7-2-3-16-25-24;1-2-10-22-19(8-1)20-12-11-17(15-23(20)25-22)16-6-5-7-18(14-16)21-9-3-4-13-24-21;1-2-7-18(8-3-1)19-12-14-20(15-13-19)21-9-6-10-22(17-21)23-11-4-5-16-24-23;1-16-7-8-19-14-20(10-9-18(19)13-16)21-11-12-23-22(15-21)17-5-3-2-4-6-17;2*1-14-8-10-15(11-9-14)16-5-4-6-17(13-16)18-7-2-3-12-19-18;3*1-14-7-9-15(10-8-14)17-11-12-19-18(13-17)16-5-3-2-4-6-16;5*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h3-8,10-17H,1-2H3;2-5,7-17H,1H3;1-6,8-15H;1-9,11-17H;2-5,7-15H,1H3;5*2-5,7-13H,1H3;5*1-6,8-9H;;;;;/q15*-1;5*+3.
What are the key properties of 2-(3-dibenzofuran-3-ylbenzene-6-id-1-yl)pyridine;4-(9,9-dimethylfluoren-2-yl)-2-phenylpyridine;pentakis(iridium(3+));4-(6-methylnaphthalen-2-yl)-2-phenylpyridine;bis(2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine);2-[3-[4-(4-methylphenyl)phenyl]benzene-6-id-1-yl]pyridine;tris(4-(4-methylphenyl)-2-phenylpyridine);2-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyridine;pentakis(2-phenylpyridine)?
2-(3-dibenzofuran-3-ylbenzene-6-id-1-yl)pyridine;4-(9,9-dimethylfluoren-2-yl)-2-phenylpyridine;pentakis(iridium(3+));4-(6-methylnaphthalen-2-yl)-2-phenylpyridine;bis(2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine);2-[3-[4-(4-methylphenyl)phenyl]benzene-6-id-1-yl]pyridine;tris(4-(4-methylphenyl)-2-phenylpyridine);2-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyridine;pentakis(2-phenylpyridine) has a molecular weight of 4541.63 g/mol, XLogP of 65.74, 27 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-dibenzofuran-3-ylbenzene-6-id-1-yl)pyridine;4-(9,9-dimethylfluoren-2-yl)-2-phenylpyridine;pentakis(iridium(3+));4-(6-methylnaphthalen-2-yl)-2-phenylpyridine;bis(2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine);2-[3-[4-(4-methylphenyl)phenyl]benzene-6-id-1-yl]pyridine;tris(4-(4-methylphenyl)-2-phenylpyridine);2-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyridine;pentakis(2-phenylpyridine) is sourced from PubChem (CID 157103976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).