3,5-bis(3-dibenzofuran-4-ylphenyl)pyridine;3,5-bis(3-dibenzothiophen-4-ylphenyl)pyridine;9-[3-[5-(3-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole;4,7-diphenyl-1,10-phenanthroline;iridium;2-phenylpyridine

About 3,5-bis(3-dibenzofuran-4-ylphenyl)pyridine;3,5-bis(3-dibenzothiophen-4-ylphenyl)pyridine;9-[3-[5-(3-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole;4,7-diphenyl-1,10-phenanthroline;iridium;2-phenylpyridine

3,5-bis(3-dibenzofuran-4-ylphenyl)pyridine;3,5-bis(3-dibenzothiophen-4-ylphenyl)pyridine;9-[3-[5-(3-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole;4,7-diphenyl-1,10-phenanthroline;iridium;2-phenylpyridine (PubChem CID 159925551) has the molecular formula C158H101IrN8O2S2- and a molecular weight of 2399.95 g/mol. Its IUPAC name is 3,5-bis(3-dibenzofuran-4-ylphenyl)pyridine;3,5-bis(3-dibenzothiophen-4-ylphenyl)pyridine;9-[3-[5-(3-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole;4,7-diphenyl-1,10-phenanthroline;iridium;2-phenylpyridine.

Molecular Properties

Compound Name	3,5-bis(3-dibenzofuran-4-ylphenyl)pyridine;3,5-bis(3-dibenzothiophen-4-ylphenyl)pyridine;9-[3-[5-(3-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole;4,7-diphenyl-1,10-phenanthroline;iridium;2-phenylpyridine
PubChem CID	159925551
Molecular Formula	C158H101IrN8O2S2-
Molecular Weight	2399.95 g/mol
Exact Mass	2398.71
IUPAC Name	3,5-bis(3-dibenzofuran-4-ylphenyl)pyridine;3,5-bis(3-dibenzothiophen-4-ylphenyl)pyridine;9-[3-[5-(3-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole;4,7-diphenyl-1,10-phenanthroline;iridium;2-phenylpyridine
SMILES	[Ir].[c-]1ccccc1-c1ccccn1.c1cc(-c2cncc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)c2)cc(-c2cccc3c2oc2ccccc23)c1.c1cc(-c2cncc(-c3cccc(-c4cccc5c4sc4ccccc45)c3)c2)cc(-c2cccc3c2sc2ccccc23)c1.c1cc(-c2cncc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c2)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChI	InChI=1S/C41H27N3.C41H25NO2.C41H25NS2.C24H16N2.C11H8N.Ir/c1-5-19-38-34(15-1)35-16-2-6-20-39(35)43(38)32-13-9-11-28(24-32)30-23-31(27-42-26-30)29-12-10-14-33(25-29)44-40-21-7-3-17-36(40)37-18-4-8-22-41(37)44;21-3-19-38-34(13-1)36-17-7-15-32(40(36)43-38)28-11-5-9-26(21-28)30-23-31(25-42-24-30)27-10-6-12-29(22-27)33-16-8-18-37-35-14-2-4-20-39(35)44-41(33)37;1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-27H;21-25H;1-16H;1-6,8-9H;/q;;;;-1;
InChIKey	YSUGCLHDUDNINH-UHFFFAOYSA-N
XLogP	43.31
TPSA	113.48 Å²
H-Bond Donors
H-Bond Acceptors	12
Rotatable Bonds	15
Heavy Atoms	171
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2399.95
LogP ≤ 5	43.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(3-dibenzofuran-4-ylphenyl)pyridine;3,5-bis(3-dibenzothiophen-4-ylphenyl)pyridine;9-[3-[5-(3-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole;4,7-diphenyl-1,10-phenanthroline;iridium;2-phenylpyridine?

The IUPAC name of 3,5-bis(3-dibenzofuran-4-ylphenyl)pyridine;3,5-bis(3-dibenzothiophen-4-ylphenyl)pyridine;9-[3-[5-(3-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole;4,7-diphenyl-1,10-phenanthroline;iridium;2-phenylpyridine (CID 159925551) is 3,5-bis(3-dibenzofuran-4-ylphenyl)pyridine;3,5-bis(3-dibenzothiophen-4-ylphenyl)pyridine;9-[3-[5-(3-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole;4,7-diphenyl-1,10-phenanthroline;iridium;2-phenylpyridine.

What is the SMILES notation for 3,5-bis(3-dibenzofuran-4-ylphenyl)pyridine;3,5-bis(3-dibenzothiophen-4-ylphenyl)pyridine;9-[3-[5-(3-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole;4,7-diphenyl-1,10-phenanthroline;iridium;2-phenylpyridine?

The canonical SMILES for 3,5-bis(3-dibenzofuran-4-ylphenyl)pyridine;3,5-bis(3-dibenzothiophen-4-ylphenyl)pyridine;9-[3-[5-(3-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole;4,7-diphenyl-1,10-phenanthroline;iridium;2-phenylpyridine is [Ir].[c-]1ccccc1-c1ccccn1.c1cc(-c2cncc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)c2)cc(-c2cccc3c2oc2ccccc23)c1.c1cc(-c2cncc(-c3cccc(-c4cccc5c4sc4ccccc45)c3)c2)cc(-c2cccc3c2sc2ccccc23)c1.c1cc(-c2cncc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c2)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.

What is the InChIKey of 3,5-bis(3-dibenzofuran-4-ylphenyl)pyridine;3,5-bis(3-dibenzothiophen-4-ylphenyl)pyridine;9-[3-[5-(3-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole;4,7-diphenyl-1,10-phenanthroline;iridium;2-phenylpyridine?

The InChIKey is YSUGCLHDUDNINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N3.C41H25NO2.C41H25NS2.C24H16N2.C11H8N.Ir/c1-5-19-38-34(15-1)35-16-2-6-20-39(35)43(38)32-13-9-11-28(24-32)30-23-31(27-42-26-30)29-12-10-14-33(25-29)44-40-21-7-3-17-36(40)37-18-4-8-22-41(37)44;2*1-3-19-38-34(13-1)36-17-7-15-32(40(36)43-38)28-11-5-9-26(21-28)30-23-31(25-42-24-30)27-10-6-12-29(22-27)33-16-8-18-37-35-14-2-4-20-39(35)44-41(33)37;1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-27H;2*1-25H;1-16H;1-6,8-9H;/q;;;;-1;.

What are the key properties of 3,5-bis(3-dibenzofuran-4-ylphenyl)pyridine;3,5-bis(3-dibenzothiophen-4-ylphenyl)pyridine;9-[3-[5-(3-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole;4,7-diphenyl-1,10-phenanthroline;iridium;2-phenylpyridine?

3,5-bis(3-dibenzofuran-4-ylphenyl)pyridine;3,5-bis(3-dibenzothiophen-4-ylphenyl)pyridine;9-[3-[5-(3-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole;4,7-diphenyl-1,10-phenanthroline;iridium;2-phenylpyridine has a molecular weight of 2399.95 g/mol, XLogP of 43.31, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-bis(3-dibenzofuran-4-ylphenyl)pyridine;3,5-bis(3-dibenzothiophen-4-ylphenyl)pyridine;9-[3-[5-(3-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole;4,7-diphenyl-1,10-phenanthroline;iridium;2-phenylpyridine is sourced from PubChem (CID 159925551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).