2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;pentakis(diphenylphosphorylbenzene);pentakis(iridium);3-phenylisoquinoline;2-phenylpyridine;2-phenylquinoline

C165H118Ir5N5O6P5S-10 — CID 163819827

IUPAC2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;pentakis(diphenylphosphorylbenzene);pentakis(iridium);3-phenylisoquinoline;2-phenylpyridine;2-phenylquinoline
SMILESO=P(c1[c-]cccc1)(c1ccccc1)c1ccccc1.O=P(c1[c-]cccc1)(c1ccccc1)c1ccccc1.O=P(c1[c-]cccc1)(c1ccccc1)c1ccccc1.O=P(c1[c-]cccc1)(c1ccccc1)c1ccccc1.O=P(c1[c-]cccc1)(c1ccccc1)c1ccccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.[c-]1ccc2c(sc3ccccc32)c1-c1ccccn1.[c-]1ccccc1-c1cc2ccccc2cn1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/5C18H14OP.C17H10NO.C17H10NS.2C15H10N.C11H8N.5Ir/c5*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-16-15;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h5*1-14H;2*1-7,9-11H;2*1-6,8-11H;1-6,8-9H;;;;;/q10*-1;;;;;
InChIKeyJLZNAMISVOVCJN-UHFFFAOYSA-N
MW3414.81 g/mol
LogP34.94
Rot. Bonds20

About 2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;pentakis(diphenylphosphorylbenzene);pentakis(iridium);3-phenylisoquinoline;2-phenylpyridine;2-phenylquinoline

2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;pentakis(diphenylphosphorylbenzene);pentakis(iridium);3-phenylisoquinoline;2-phenylpyridine;2-phenylquinoline (PubChem CID 163819827) has the molecular formula C165H118Ir5N5O6P5S-10 and a molecular weight of 3414.81 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;pentakis(diphenylphosphorylbenzene);pentakis(iridium);3-phenylisoquinoline;2-phenylpyridine;2-phenylquinoline.

Molecular Properties

Compound Name2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;pentakis(diphenylphosphorylbenzene);pentakis(iridium);3-phenylisoquinoline;2-phenylpyridine;2-phenylquinoline
PubChem CID163819827
Molecular FormulaC165H118Ir5N5O6P5S-10
Molecular Weight3414.81 g/mol
Exact Mass3416.57
IUPAC Name2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;pentakis(diphenylphosphorylbenzene);pentakis(iridium);3-phenylisoquinoline;2-phenylpyridine;2-phenylquinoline
SMILESO=P(c1[c-]cccc1)(c1ccccc1)c1ccccc1.O=P(c1[c-]cccc1)(c1ccccc1)c1ccccc1.O=P(c1[c-]cccc1)(c1ccccc1)c1ccccc1.O=P(c1[c-]cccc1)(c1ccccc1)c1ccccc1.O=P(c1[c-]cccc1)(c1ccccc1)c1ccccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.[c-]1ccc2c(sc3ccccc32)c1-c1ccccn1.[c-]1ccccc1-c1cc2ccccc2cn1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/5C18H14OP.C17H10NO.C17H10NS.2C15H10N.C11H8N.5Ir/c5*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-16-15;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h5*1-14H;2*1-7,9-11H;2*1-6,8-11H;1-6,8-9H;;;;;/q10*-1;;;;;
InChIKeyJLZNAMISVOVCJN-UHFFFAOYSA-N
XLogP34.94
TPSA162.94 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms187
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003414.81
LogP ≤ 534.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

2-(3H-dibenzofuran-3-id-4-yl)pyridine;diphenylphosphorylbenzene;iridium
CID 164702147
2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium;5-methyl-2-phenylpyridine
CID 140775803
2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-dinaphthalen-2-ylphosphoryl-2H-naphthalen-2-ide;iridium
CID 164702145
2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;pentakis(iridium);4-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;bis(5-methyl-2-phenylpyridine);bis(2-phenylpyridine)
CID 158812599
2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium;4-methyl-5-phenyl-2-phenylpyridine
CID 59500289
2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium(3+);bis(2-methyl-6-phenylpyridine)
CID 59500229
CID 157433903
CID 157433903
2-(3H-dibenzofuran-3-id-4-yl)-4,5-dimethylpyridine;bis(2-(3H-dibenzothiophen-3-id-4-yl)-4,5-dimethylpyridine);bis(2-(3H-dibenzothiophen-3-id-4-yl)pyridine);tetrakis(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);pentakis(iridium);1-methyl-2-phenylimidazole
CID 158771200
2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;iridium;2-methyl-6-phenylpyridine
CID 155625049
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
CID 162452967
CID 162452967
5-tert-butyl-3-(3H-dibenzofuran-3-id-4-yl)pyridazine;iridium;2-phenylpyridine
CID 172534963

Frequently Asked Questions

What is the IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;pentakis(diphenylphosphorylbenzene);pentakis(iridium);3-phenylisoquinoline;2-phenylpyridine;2-phenylquinoline?
The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;pentakis(diphenylphosphorylbenzene);pentakis(iridium);3-phenylisoquinoline;2-phenylpyridine;2-phenylquinoline (CID 163819827) is 2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;pentakis(diphenylphosphorylbenzene);pentakis(iridium);3-phenylisoquinoline;2-phenylpyridine;2-phenylquinoline.
What is the SMILES notation for 2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;pentakis(diphenylphosphorylbenzene);pentakis(iridium);3-phenylisoquinoline;2-phenylpyridine;2-phenylquinoline?
The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;pentakis(diphenylphosphorylbenzene);pentakis(iridium);3-phenylisoquinoline;2-phenylpyridine;2-phenylquinoline is O=P(c1[c-]cccc1)(c1ccccc1)c1ccccc1.O=P(c1[c-]cccc1)(c1ccccc1)c1ccccc1.O=P(c1[c-]cccc1)(c1ccccc1)c1ccccc1.O=P(c1[c-]cccc1)(c1ccccc1)c1ccccc1.O=P(c1[c-]cccc1)(c1ccccc1)c1ccccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.[c-]1ccc2c(sc3ccccc32)c1-c1ccccn1.[c-]1ccccc1-c1cc2ccccc2cn1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;pentakis(diphenylphosphorylbenzene);pentakis(iridium);3-phenylisoquinoline;2-phenylpyridine;2-phenylquinoline?
The InChIKey is JLZNAMISVOVCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/5C18H14OP.C17H10NO.C17H10NS.2C15H10N.C11H8N.5Ir/c5*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-16-15;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h5*1-14H;2*1-7,9-11H;2*1-6,8-11H;1-6,8-9H;;;;;/q10*-1;;;;;.
What are the key properties of 2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;pentakis(diphenylphosphorylbenzene);pentakis(iridium);3-phenylisoquinoline;2-phenylpyridine;2-phenylquinoline?
2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;pentakis(diphenylphosphorylbenzene);pentakis(iridium);3-phenylisoquinoline;2-phenylpyridine;2-phenylquinoline has a molecular weight of 3414.81 g/mol, XLogP of 34.94, 20 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;pentakis(diphenylphosphorylbenzene);pentakis(iridium);3-phenylisoquinoline;2-phenylpyridine;2-phenylquinoline is sourced from PubChem (CID 163819827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).