tris([1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]azanide);dimethylazanide;uranium(4+)

C65H78N10U — CID 139140600

IUPACtris([1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]azanide);dimethylazanide;uranium(4+)
SMILESC[N-]C.Cc1cc(C)c(-n2ccn(-c3c(C)cc(C)cc3C)c2=[N-])c(C)c1.Cc1cc(C)c(-n2ccn(-c3c(C)cc(C)cc3C)c2=[N-])c(C)c1.Cc1cc(C)c(-n2ccn(-c3c(C)cc(C)cc3C)c2=[N-])c(C)c1.[U+4]
InChIInChI=1S/3C21H24N3.C2H6N.U/c3*1-13-9-15(3)19(16(4)10-13)23-7-8-24(21(23)22)20-17(5)11-14(2)12-18(20)6;1-3-2;/h3*7-12H,1-6H3;1-2H3;/q4*-1;+4
InChIKeyQCKKFRASKUMEAG-UHFFFAOYSA-N
MW1237.44 g/mol
LogP14.39
Rot. Bonds6

About tris([1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]azanide);dimethylazanide;uranium(4+)

tris([1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]azanide);dimethylazanide;uranium(4+) (PubChem CID 139140600) has the molecular formula C65H78N10U and a molecular weight of 1237.44 g/mol. Its IUPAC name is tris([1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]azanide);dimethylazanide;uranium(4+).

Molecular Properties

Compound Nametris([1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]azanide);dimethylazanide;uranium(4+)
PubChem CID139140600
Molecular FormulaC65H78N10U
Molecular Weight1237.44 g/mol
Exact Mass1236.69
IUPAC Nametris([1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]azanide);dimethylazanide;uranium(4+)
SMILESC[N-]C.Cc1cc(C)c(-n2ccn(-c3c(C)cc(C)cc3C)c2=[N-])c(C)c1.Cc1cc(C)c(-n2ccn(-c3c(C)cc(C)cc3C)c2=[N-])c(C)c1.Cc1cc(C)c(-n2ccn(-c3c(C)cc(C)cc3C)c2=[N-])c(C)c1.[U+4]
InChIInChI=1S/3C21H24N3.C2H6N.U/c3*1-13-9-15(3)19(16(4)10-13)23-7-8-24(21(23)22)20-17(5)11-14(2)12-18(20)6;1-3-2;/h3*7-12H,1-6H3;1-2H3;/q4*-1;+4
InChIKeyQCKKFRASKUMEAG-UHFFFAOYSA-N
XLogP14.39
TPSA110.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001237.44
LogP ≤ 514.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tris([1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]azanide);dimethylazanide;uranium(4+)?
The IUPAC name of tris([1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]azanide);dimethylazanide;uranium(4+) (CID 139140600) is tris([1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]azanide);dimethylazanide;uranium(4+).
What is the SMILES notation for tris([1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]azanide);dimethylazanide;uranium(4+)?
The canonical SMILES for tris([1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]azanide);dimethylazanide;uranium(4+) is C[N-]C.Cc1cc(C)c(-n2ccn(-c3c(C)cc(C)cc3C)c2=[N-])c(C)c1.Cc1cc(C)c(-n2ccn(-c3c(C)cc(C)cc3C)c2=[N-])c(C)c1.Cc1cc(C)c(-n2ccn(-c3c(C)cc(C)cc3C)c2=[N-])c(C)c1.[U+4].
What is the InChIKey of tris([1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]azanide);dimethylazanide;uranium(4+)?
The InChIKey is QCKKFRASKUMEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C21H24N3.C2H6N.U/c3*1-13-9-15(3)19(16(4)10-13)23-7-8-24(21(23)22)20-17(5)11-14(2)12-18(20)6;1-3-2;/h3*7-12H,1-6H3;1-2H3;/q4*-1;+4.
What are the key properties of tris([1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]azanide);dimethylazanide;uranium(4+)?
tris([1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]azanide);dimethylazanide;uranium(4+) has a molecular weight of 1237.44 g/mol, XLogP of 14.39, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris([1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]azanide);dimethylazanide;uranium(4+) is sourced from PubChem (CID 139140600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).