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

C28H37AgF2N2- — CID 166438558

IUPAC[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]silver;difluoromethane
SMILESCC(C)c1cccc(C(C)C)c1-n1ccn(-c2c(C(C)C)cccc2C(C)C)c1=[Ag].F[CH-]F
InChIInChI=1S/C27H36N2.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;/h9-16,18-21H,1-8H3;1H;/q;-1;
InChIKeyRFWXSGOAJULXKN-UHFFFAOYSA-N
MW547.48 g/mol
LogP8.89
Rot. Bonds6

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

[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]silver;difluoromethane (PubChem CID 166438558) has the molecular formula C28H37AgF2N2- and a molecular weight of 547.48 g/mol. Its IUPAC name is [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]silver;difluoromethane.

Molecular Properties

Compound Name[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]silver;difluoromethane
PubChem CID166438558
Molecular FormulaC28H37AgF2N2-
Molecular Weight547.48 g/mol
Exact Mass546.20
IUPAC Name[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]silver;difluoromethane
SMILESCC(C)c1cccc(C(C)C)c1-n1ccn(-c2c(C(C)C)cccc2C(C)C)c1=[Ag].F[CH-]F
InChIInChI=1S/C27H36N2.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;/h9-16,18-21H,1-8H3;1H;/q;-1;
InChIKeyRFWXSGOAJULXKN-UHFFFAOYSA-N
XLogP8.89
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.48
LogP ≤ 58.89
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-di(propan-2-yl)phenyl]imidazol-2-ylidene]cobalt
CID 155661815
[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]palladium;hydrate
CID 141164951
bis([1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]-chloronickel);dihydrate
CID 11297642
N-[[[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]amino]-chloroboranyl]-1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-imine
CID 132517111
bis[[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]amino]-ethynyl-methylphosphanium
CID 154700444
silver;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide;difluoromethane
CID 139112648
1,3,5-tris[2,6-di(propan-2-yl)phenyl]-2,4,6-trimethyl-1,3,5,2,4,6-triazatrialuminane
CID 16714946
1,4,7-tris[2,6-di(propan-2-yl)phenyl]-1,4,7-triazonane
CID 20681040
benzylidene-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]-dichlororuthenium
CID 11468716
1,3-bis[2,6-di(propan-2-yl)phenyl]-2,4-disulfido-1,3,2,4-diazadiphosphetidine-2,4-diium
CID 122202965
1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-triazole
CID 67468757
CID 139124493
CID 139124493

Frequently Asked Questions

What is the IUPAC name of [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]silver;difluoromethane?
The IUPAC name of [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]silver;difluoromethane (CID 166438558) is [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]silver;difluoromethane.
What is the SMILES notation for [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]silver;difluoromethane?
The canonical SMILES for [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]silver;difluoromethane is CC(C)c1cccc(C(C)C)c1-n1ccn(-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]imidazol-2-ylidene]silver;difluoromethane?
The InChIKey is RFWXSGOAJULXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2.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;/h9-16,18-21H,1-8H3;1H;/q;-1;.
What are the key properties of [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]silver;difluoromethane?
[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]silver;difluoromethane has a molecular weight of 547.48 g/mol, XLogP of 8.89, 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]imidazol-2-ylidene]silver;difluoromethane is sourced from PubChem (CID 166438558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).