bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);bis(2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);ethenylbenzene;tetrakis(iridium(3+));bis(2-phenylpyridine)

C144H104F8Ir4N12 — CID 159182085

IUPACbis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);bis(2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);ethenylbenzene;tetrakis(iridium(3+));bis(2-phenylpyridine)
SMILESCc1cc(C)c(-c2ccccn2)[c-]c1-c1ccccn1.Cc1cc(C)c(-c2ccccn2)[c-]c1-c1ccccn1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1cc(F)c(-c2ccccn2)[c-]c1-c1ccccn1.Fc1cc(F)c(-c2ccccn2)[c-]c1-c1ccccn1.[H]/[C-]=C\c1ccccc1.[H]/[C-]=C\c1ccccc1.[H]/[C-]=C\c1ccccc1.[H]/[C-]=C\c1ccccc1.[Ir+3].[Ir+3].[Ir+3].[Ir+3].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/2C18H15N2.2C16H9F2N2.2C11H6F2N.2C11H8N.4C8H7.4Ir/c2*1-13-11-14(2)16(18-8-4-6-10-20-18)12-15(13)17-7-3-5-9-19-17;2*17-13-10-14(18)12(16-6-2-4-8-20-16)9-11(13)15-5-1-3-7-19-15;2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;4*1-2-8-6-4-3-5-7-8;;;;/h2*3-11H,1-2H3;2*1-8,10H;2*1-4,6-7H;2*1-6,8-9H;4*1-7H;;;;/q12*-1;4*+3
InChIKeyXCTFOBXBSDWEJM-UHFFFAOYSA-N
MW2923.35 g/mol
LogP35.51
Rot. Bonds16

About bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);bis(2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);ethenylbenzene;tetrakis(iridium(3+));bis(2-phenylpyridine)

bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);bis(2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);ethenylbenzene;tetrakis(iridium(3+));bis(2-phenylpyridine) (PubChem CID 159182085) has the molecular formula C144H104F8Ir4N12 and a molecular weight of 2923.35 g/mol. Its IUPAC name is bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);bis(2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);ethenylbenzene;tetrakis(iridium(3+));bis(2-phenylpyridine).

Molecular Properties

Compound Namebis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);bis(2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);ethenylbenzene;tetrakis(iridium(3+));bis(2-phenylpyridine)
PubChem CID159182085
Molecular FormulaC144H104F8Ir4N12
Molecular Weight2923.35 g/mol
Exact Mass2924.69
IUPAC Namebis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);bis(2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);ethenylbenzene;tetrakis(iridium(3+));bis(2-phenylpyridine)
SMILESCc1cc(C)c(-c2ccccn2)[c-]c1-c1ccccn1.Cc1cc(C)c(-c2ccccn2)[c-]c1-c1ccccn1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1cc(F)c(-c2ccccn2)[c-]c1-c1ccccn1.Fc1cc(F)c(-c2ccccn2)[c-]c1-c1ccccn1.[H]/[C-]=C\c1ccccc1.[H]/[C-]=C\c1ccccc1.[H]/[C-]=C\c1ccccc1.[H]/[C-]=C\c1ccccc1.[Ir+3].[Ir+3].[Ir+3].[Ir+3].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/2C18H15N2.2C16H9F2N2.2C11H6F2N.2C11H8N.4C8H7.4Ir/c2*1-13-11-14(2)16(18-8-4-6-10-20-18)12-15(13)17-7-3-5-9-19-17;2*17-13-10-14(18)12(16-6-2-4-8-20-16)9-11(13)15-5-1-3-7-19-15;2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;4*1-2-8-6-4-3-5-7-8;;;;/h2*3-11H,1-2H3;2*1-8,10H;2*1-4,6-7H;2*1-6,8-9H;4*1-7H;;;;/q12*-1;4*+3
InChIKeyXCTFOBXBSDWEJM-UHFFFAOYSA-N
XLogP35.51
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002923.35
LogP ≤ 535.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);bis(2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);ethenylbenzene;tetrakis(iridium(3+));bis(2-phenylpyridine) with MolForge

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Related Compounds

2-(2,4-difluorobenzene-6-id-1-yl)-6-phenylpyridine;2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;iridium(3+)
CID 58898335
2-(2,4-difluorobenzene-6-id-1-yl)-4-phenylpyridine;iridium;2-phenylpyridine
CID 168821524
2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;5-phenyl-2-phenylpyridine
CID 168823172
2-(2,4-difluorobenzene-6-id-1-yl)pyridine;ethynylbenzene;iridium(3+);2-phenyl-6-pyridin-2-ylpyridine
CID 58898829
carbanide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;platinum
CID 21044191
2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;3-phenyl-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 59622169
iridium;2-phenylpyridine;4-phenyl-2-(2,4,5-trifluorobenzene-6-id-1-yl)pyridine
CID 168821993
2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;iridium(3+);1-(6-phenyl-2-pyridinyl)carbazol-9-ide
CID 171438774
2-(2,4-difluorobenzene-6-id-1-yl)pyridine;4-hydroxypent-3-en-2-one;tris(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;bis(2-phenylpyridine);platinum(2+);pyridine-2-carboxylic acid
CID 159114327
2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-phenylpyridine;platinum;platinum(2+);pyridine-2-carboxylic acid;tetrakis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine)
CID 157442160
bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium;5-pyridin-2-yl-1,2,4-triazine
CID 155643108
2-(2,5-difluorobenzene-6-id-1-yl)pyridine;iridium;4-phenyl-2-phenylpyridine
CID 168823015

Frequently Asked Questions

What is the IUPAC name of bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);bis(2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);ethenylbenzene;tetrakis(iridium(3+));bis(2-phenylpyridine)?
The IUPAC name of bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);bis(2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);ethenylbenzene;tetrakis(iridium(3+));bis(2-phenylpyridine) (CID 159182085) is bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);bis(2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);ethenylbenzene;tetrakis(iridium(3+));bis(2-phenylpyridine).
What is the SMILES notation for bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);bis(2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);ethenylbenzene;tetrakis(iridium(3+));bis(2-phenylpyridine)?
The canonical SMILES for bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);bis(2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);ethenylbenzene;tetrakis(iridium(3+));bis(2-phenylpyridine) is Cc1cc(C)c(-c2ccccn2)[c-]c1-c1ccccn1.Cc1cc(C)c(-c2ccccn2)[c-]c1-c1ccccn1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1cc(F)c(-c2ccccn2)[c-]c1-c1ccccn1.Fc1cc(F)c(-c2ccccn2)[c-]c1-c1ccccn1.[H]/[C-]=C\c1ccccc1.[H]/[C-]=C\c1ccccc1.[H]/[C-]=C\c1ccccc1.[H]/[C-]=C\c1ccccc1.[Ir+3].[Ir+3].[Ir+3].[Ir+3].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);bis(2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);ethenylbenzene;tetrakis(iridium(3+));bis(2-phenylpyridine)?
The InChIKey is XCTFOBXBSDWEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H15N2.2C16H9F2N2.2C11H6F2N.2C11H8N.4C8H7.4Ir/c2*1-13-11-14(2)16(18-8-4-6-10-20-18)12-15(13)17-7-3-5-9-19-17;2*17-13-10-14(18)12(16-6-2-4-8-20-16)9-11(13)15-5-1-3-7-19-15;2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;4*1-2-8-6-4-3-5-7-8;;;;/h2*3-11H,1-2H3;2*1-8,10H;2*1-4,6-7H;2*1-6,8-9H;4*1-7H;;;;/q12*-1;4*+3.
What are the key properties of bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);bis(2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);ethenylbenzene;tetrakis(iridium(3+));bis(2-phenylpyridine)?
bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);bis(2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);ethenylbenzene;tetrakis(iridium(3+));bis(2-phenylpyridine) has a molecular weight of 2923.35 g/mol, XLogP of 35.51, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);bis(2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);ethenylbenzene;tetrakis(iridium(3+));bis(2-phenylpyridine) is sourced from PubChem (CID 159182085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).