2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;10-(4-ethynylphenyl)-9,9-dimethylacridine;gold(3+)

C40H25AuF4N2 — CID 164705072

IUPAC2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;10-(4-ethynylphenyl)-9,9-dimethylacridine;gold(3+)
SMILESFc1c[c-]c(-c2cccc(-c3[c-]cc(F)cc3F)n2)c(F)c1.[Au+3].[C-]#Cc1ccc(N2c3ccccc3C(C)(C)c3ccccc32)cc1
InChIInChI=1S/C23H18N.C17H7F4N.Au/c1-4-17-13-15-18(16-14-17)24-21-11-7-5-9-19(21)23(2,3)20-10-6-8-12-22(20)24;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;/h5-16H,2-3H3;1-5,8-9H;/q-1;-2;+3
InChIKeyCCQPCPZHYVDIGT-UHFFFAOYSA-N
MW806.61 g/mol
LogP10.30
Rot. Bonds3

About 2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;10-(4-ethynylphenyl)-9,9-dimethylacridine;gold(3+)

2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;10-(4-ethynylphenyl)-9,9-dimethylacridine;gold(3+) (PubChem CID 164705072) has the molecular formula C40H25AuF4N2 and a molecular weight of 806.61 g/mol. Its IUPAC name is 2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;10-(4-ethynylphenyl)-9,9-dimethylacridine;gold(3+).

Molecular Properties

Compound Name2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;10-(4-ethynylphenyl)-9,9-dimethylacridine;gold(3+)
PubChem CID164705072
Molecular FormulaC40H25AuF4N2
Molecular Weight806.61 g/mol
Exact Mass806.16
IUPAC Name2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;10-(4-ethynylphenyl)-9,9-dimethylacridine;gold(3+)
SMILESFc1c[c-]c(-c2cccc(-c3[c-]cc(F)cc3F)n2)c(F)c1.[Au+3].[C-]#Cc1ccc(N2c3ccccc3C(C)(C)c3ccccc32)cc1
InChIInChI=1S/C23H18N.C17H7F4N.Au/c1-4-17-13-15-18(16-14-17)24-21-11-7-5-9-19(21)23(2,3)20-10-6-8-12-22(20)24;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;/h5-16H,2-3H3;1-5,8-9H;/q-1;-2;+3
InChIKeyCCQPCPZHYVDIGT-UHFFFAOYSA-N
XLogP10.30
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.61
LogP ≤ 510.30
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'}

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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-(9,9-dimethyl-10-phenylacridin-2-yl)-2-pyridinyl]-9,9-dimethyl-10-phenylacridine
CID 59399596
10-[4-[2,3-bis(3,4-difluorophenyl)-7-phenylpyrazino[2,3-b]pyrazin-6-yl]phenyl]-9,9-dimethylacridine
CID 129037633
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528442
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528441
10,10-dimethyl-9H-anthracene;9,9-dimethyl-10-naphthalen-2-ylacridine
CID 164974789
9,9-dimethyl-10-[4-[4-methyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]acridine
CID 168805920
6-[3-(9,9-dimethylacridin-10-yl)phenyl]pyridine-2-carbonitrile
CID 146543096
4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,5-diphenylphenyl]benzonitrile
CID 155298681
10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylacridine
CID 155244755
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-10-phenylacridine
CID 71007166
6,11-bis(9,9-dimethylacridin-10-yl)-3-fluorotriphenylene-2-carbonitrile
CID 121477980

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;10-(4-ethynylphenyl)-9,9-dimethylacridine;gold(3+)?
The IUPAC name of 2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;10-(4-ethynylphenyl)-9,9-dimethylacridine;gold(3+) (CID 164705072) is 2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;10-(4-ethynylphenyl)-9,9-dimethylacridine;gold(3+).
What is the SMILES notation for 2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;10-(4-ethynylphenyl)-9,9-dimethylacridine;gold(3+)?
The canonical SMILES for 2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;10-(4-ethynylphenyl)-9,9-dimethylacridine;gold(3+) is Fc1c[c-]c(-c2cccc(-c3[c-]cc(F)cc3F)n2)c(F)c1.[Au+3].[C-]#Cc1ccc(N2c3ccccc3C(C)(C)c3ccccc32)cc1.
What is the InChIKey of 2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;10-(4-ethynylphenyl)-9,9-dimethylacridine;gold(3+)?
The InChIKey is CCQPCPZHYVDIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N.C17H7F4N.Au/c1-4-17-13-15-18(16-14-17)24-21-11-7-5-9-19(21)23(2,3)20-10-6-8-12-22(20)24;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;/h5-16H,2-3H3;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;10-(4-ethynylphenyl)-9,9-dimethylacridine;gold(3+)?
2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;10-(4-ethynylphenyl)-9,9-dimethylacridine;gold(3+) has a molecular weight of 806.61 g/mol, XLogP of 10.30, 3 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;10-(4-ethynylphenyl)-9,9-dimethylacridine;gold(3+) is sourced from PubChem (CID 164705072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).