[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ylidene]silver;difluoromethane

C28H39AgF2N2- — CID 134159326

IUPAC[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ylidene]silver;difluoromethane
SMILESCC(C)c1cccc(C(C)C)c1N1CCN(c2c(C(C)C)cccc2C(C)C)C1=[Ag].F[CH-]F
InChIInChI=1S/C27H38N2.CHF2.Ag/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;2-1-3;/h9-14,18-21H,15-16H2,1-8H3;1H;/q;-1;
InChIKeyAPLKKPCEPXCWIN-UHFFFAOYSA-N
MW549.50 g/mol
LogP8.19
Rot. Bonds6

About [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ylidene]silver;difluoromethane

[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ylidene]silver;difluoromethane (PubChem CID 134159326) has the molecular formula C28H39AgF2N2- and a molecular weight of 549.50 g/mol. Its IUPAC name is [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ylidene]silver;difluoromethane.

Molecular Properties

Compound Name[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ylidene]silver;difluoromethane
PubChem CID134159326
Molecular FormulaC28H39AgF2N2-
Molecular Weight549.50 g/mol
Exact Mass548.21
IUPAC Name[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ylidene]silver;difluoromethane
SMILESCC(C)c1cccc(C(C)C)c1N1CCN(c2c(C(C)C)cccc2C(C)C)C1=[Ag].F[CH-]F
InChIInChI=1S/C27H38N2.CHF2.Ag/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;2-1-3;/h9-14,18-21H,15-16H2,1-8H3;1H;/q;-1;
InChIKeyAPLKKPCEPXCWIN-UHFFFAOYSA-N
XLogP8.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.50
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-Bis(2,6-diisopropylphenyl)imidazolidin-2-ylidene
CID 10883669
N-(2,6-dimethylphenyl)-3-phenylpyrrolidine-1-carbothioamide
CID 5192797
2-Chloro-1,3-bis(2,6-diisopropylphenyl)-1,3,2-diazaphospholidine
CID 12183212
Chloro(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)gold(I)
CID 53338759
Chloro[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]copper(I)
CID 86677033
Imidazolidine, 1-methyl-2,3-diphenyl-
CID 10399319
1,3-Bis[2,6-di(propan-2-yl)phenyl]-2,2-difluoroimidazolidine
CID 11247396
2-(2,3,4,5,6-Pentafluorophenyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine
CID 11260029
1,3-bis(2,6-diisopropylphenyl)-1H-imidazol-3-ium
CID 12058007
1,3-Bis(2,6-diisopropylphenyl)-2,2-difluoro-2,3-dihydro-1H-imidazole
CID 54671431
1,3-Dimesitylimidazolidine
CID 2060893
1,3-Dimesitylimidazolidine-2-thione
CID 11450610

Frequently Asked Questions

What is the IUPAC name of [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ylidene]silver;difluoromethane?
The IUPAC name of [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ylidene]silver;difluoromethane (CID 134159326) is [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ylidene]silver;difluoromethane.
What is the SMILES notation for [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ylidene]silver;difluoromethane?
The canonical SMILES for [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ylidene]silver;difluoromethane is CC(C)c1cccc(C(C)C)c1N1CCN(c2c(C(C)C)cccc2C(C)C)C1=[Ag].F[CH-]F.
What is the InChIKey of [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ylidene]silver;difluoromethane?
The InChIKey is APLKKPCEPXCWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2.CHF2.Ag/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;2-1-3;/h9-14,18-21H,15-16H2,1-8H3;1H;/q;-1;.
What are the key properties of [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ylidene]silver;difluoromethane?
[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ylidene]silver;difluoromethane has a molecular weight of 549.50 g/mol, XLogP of 8.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ylidene]silver;difluoromethane is sourced from PubChem (CID 134159326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).