2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;4-ethynyl-N,N-diphenylaniline;gold(3+)

C37H21AuF4N2 — CID 164705069

IUPAC2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;4-ethynyl-N,N-diphenylaniline;gold(3+)
SMILESFc1c[c-]c(-c2cccc(-c3[c-]cc(F)cc3F)n2)c(F)c1.[Au+3].[C-]#Cc1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H14N.C17H7F4N.Au/c1-2-17-13-15-20(16-14-17)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19;18-10-4-6-12(14(20)8-10)16-2-1-3-17(22-16)13-7-5-11(19)9-15(13)21;/h3-16H;1-5,8-9H;/q-1;-2;+3
InChIKeyWHDOHJOQSSWDNL-UHFFFAOYSA-N
MW766.55 g/mol
LogP9.66
Rot. Bonds5

About 2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;4-ethynyl-N,N-diphenylaniline;gold(3+)

2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;4-ethynyl-N,N-diphenylaniline;gold(3+) (PubChem CID 164705069) has the molecular formula C37H21AuF4N2 and a molecular weight of 766.55 g/mol. Its IUPAC name is 2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;4-ethynyl-N,N-diphenylaniline;gold(3+).

Molecular Properties

Compound Name2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;4-ethynyl-N,N-diphenylaniline;gold(3+)
PubChem CID164705069
Molecular FormulaC37H21AuF4N2
Molecular Weight766.55 g/mol
Exact Mass766.13
IUPAC Name2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;4-ethynyl-N,N-diphenylaniline;gold(3+)
SMILESFc1c[c-]c(-c2cccc(-c3[c-]cc(F)cc3F)n2)c(F)c1.[Au+3].[C-]#Cc1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H14N.C17H7F4N.Au/c1-2-17-13-15-20(16-14-17)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19;18-10-4-6-12(14(20)8-10)16-2-1-3-17(22-16)13-7-5-11(19)9-15(13)21;/h3-16H;1-5,8-9H;/q-1;-2;+3
InChIKeyWHDOHJOQSSWDNL-UHFFFAOYSA-N
XLogP9.66
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.55
LogP ≤ 59.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;4-ethynyl-N,N-diphenylaniline;gold(3+) with MolForge

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Related Compounds

tris(2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine);4-ethynyl-N,N-diphenylaniline;10-(4-ethynylphenyl)-9,9-dimethylacridine;10-(4-ethynylphenyl)phenoxazine;tris(gold(3+))
CID 163958282
2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;10-(4-ethynylphenyl)-9,9-dimethylacridine;gold(3+)
CID 164705072
2-(2,4-difluorobenzene-6-id-1-yl)pyridine;ethynylbenzene;iridium(3+);2-phenyl-6-pyridin-2-ylpyridine
CID 58898829
2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]oxy]-N,N-diphenylpyridin-4-amine;platinum(2+)
CID 58831120
4-ethynyl-N,N-diphenylaniline;gold;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine
CID 140592761
carbanide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;platinum
CID 21044191
2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-[4-(2-methylbutan-2-yl)phenyl]anilino)-2-pyridinyl]propan-2-yl]-N-(4-ethylphenyl)-N-phenylpyridin-4-amine;platinum(2+)
CID 58831138
2-(2,4-difluorobenzene-6-id-1-yl)pyridine;[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;2-(4-fluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)pyridine;[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;tetrakis(iridium)
CID 159404145
2-[2-(2,4-difluorobenzene-6-id-1-yl)propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-(2-pyridin-2-ylpropan-2-yl)pyridine;platinum(2+)
CID 58752842
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
6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;tetrakis(platinum(2+));2-[2-[4-(2-sulfidophenyl)pyrimidin-2-yl]pyrimidin-4-yl]benzenethiolate
CID 159982781
2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-diphenylmethyl]pyridine;2-[diphenyl-(6-phenyl-2-pyridinyl)methyl]-6-phenylpyridine;bis(palladium(2+));2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;platinum(2+)
CID 161478360

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;4-ethynyl-N,N-diphenylaniline;gold(3+)?
The IUPAC name of 2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;4-ethynyl-N,N-diphenylaniline;gold(3+) (CID 164705069) is 2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;4-ethynyl-N,N-diphenylaniline;gold(3+).
What is the SMILES notation for 2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;4-ethynyl-N,N-diphenylaniline;gold(3+)?
The canonical SMILES for 2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;4-ethynyl-N,N-diphenylaniline;gold(3+) is Fc1c[c-]c(-c2cccc(-c3[c-]cc(F)cc3F)n2)c(F)c1.[Au+3].[C-]#Cc1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;4-ethynyl-N,N-diphenylaniline;gold(3+)?
The InChIKey is WHDOHJOQSSWDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N.C17H7F4N.Au/c1-2-17-13-15-20(16-14-17)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19;18-10-4-6-12(14(20)8-10)16-2-1-3-17(22-16)13-7-5-11(19)9-15(13)21;/h3-16H;1-5,8-9H;/q-1;-2;+3.
What are the key properties of 2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;4-ethynyl-N,N-diphenylaniline;gold(3+)?
2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;4-ethynyl-N,N-diphenylaniline;gold(3+) has a molecular weight of 766.55 g/mol, XLogP of 9.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;4-ethynyl-N,N-diphenylaniline;gold(3+) is sourced from PubChem (CID 164705069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).