hexakis([1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]azanide);ethyl(methyl)azanide;tris(uranium(4+))

C180H264N24U3 — CID 139140599

IUPAChexakis([1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]azanide);ethyl(methyl)azanide;tris(uranium(4+))
SMILESCC(C)c1cccc(C(C)C)c1-n1ccn(-c2c(C(C)C)cccc2C(C)C)c1=[N-].CC(C)c1cccc(C(C)C)c1-n1ccn(-c2c(C(C)C)cccc2C(C)C)c1=[N-].CC(C)c1cccc(C(C)C)c1-n1ccn(-c2c(C(C)C)cccc2C(C)C)c1=[N-].CC(C)c1cccc(C(C)C)c1-n1ccn(-c2c(C(C)C)cccc2C(C)C)c1=[N-].CC(C)c1cccc(C(C)C)c1-n1ccn(-c2c(C(C)C)cccc2C(C)C)c1=[N-].CC(C)c1cccc(C(C)C)c1-n1ccn(-c2c(C(C)C)cccc2C(C)C)c1=[N-].CC[N-]C.CC[N-]C.CC[N-]C.CC[N-]C.CC[N-]C.CC[N-]C.[U+4].[U+4].[U+4]
InChIInChI=1S/6C27H36N3.6C3H8N.3U/c6*1-17(2)21-11-9-12-22(18(3)4)25(21)29-15-16-30(27(29)28)26-23(19(5)6)13-10-14-24(26)20(7)8;6*1-3-4-2;;;/h6*9-20H,1-8H3;6*3H2,1-2H3;;;/q12*-1;3*+4
InChIKeyMCZMMIUAXXKSJU-UHFFFAOYSA-N
MW3478.35 g/mol
LogP49.45
Rot. Bonds42

About hexakis([1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]azanide);ethyl(methyl)azanide;tris(uranium(4+))

hexakis([1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]azanide);ethyl(methyl)azanide;tris(uranium(4+)) (PubChem CID 139140599) has the molecular formula C180H264N24U3 and a molecular weight of 3478.35 g/mol. Its IUPAC name is hexakis([1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]azanide);ethyl(methyl)azanide;tris(uranium(4+)).

Molecular Properties

Compound Namehexakis([1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]azanide);ethyl(methyl)azanide;tris(uranium(4+))
PubChem CID139140599
Molecular FormulaC180H264N24U3
Molecular Weight3478.35 g/mol
Exact Mass3476.29
IUPAC Namehexakis([1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]azanide);ethyl(methyl)azanide;tris(uranium(4+))
SMILESCC(C)c1cccc(C(C)C)c1-n1ccn(-c2c(C(C)C)cccc2C(C)C)c1=[N-].CC(C)c1cccc(C(C)C)c1-n1ccn(-c2c(C(C)C)cccc2C(C)C)c1=[N-].CC(C)c1cccc(C(C)C)c1-n1ccn(-c2c(C(C)C)cccc2C(C)C)c1=[N-].CC(C)c1cccc(C(C)C)c1-n1ccn(-c2c(C(C)C)cccc2C(C)C)c1=[N-].CC(C)c1cccc(C(C)C)c1-n1ccn(-c2c(C(C)C)cccc2C(C)C)c1=[N-].CC(C)c1cccc(C(C)C)c1-n1ccn(-c2c(C(C)C)cccc2C(C)C)c1=[N-].CC[N-]C.CC[N-]C.CC[N-]C.CC[N-]C.CC[N-]C.CC[N-]C.[U+4].[U+4].[U+4]
InChIInChI=1S/6C27H36N3.6C3H8N.3U/c6*1-17(2)21-11-9-12-22(18(3)4)25(21)29-15-16-30(27(29)28)26-23(19(5)6)13-10-14-24(26)20(7)8;6*1-3-4-2;;;/h6*9-20H,1-8H3;6*3H2,1-2H3;;;/q12*-1;3*+4
InChIKeyMCZMMIUAXXKSJU-UHFFFAOYSA-N
XLogP49.45
TPSA277.56 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds42
Heavy Atoms207
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003478.35
LogP ≤ 549.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of hexakis([1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]azanide);ethyl(methyl)azanide;tris(uranium(4+))?
The IUPAC name of hexakis([1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]azanide);ethyl(methyl)azanide;tris(uranium(4+)) (CID 139140599) is hexakis([1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]azanide);ethyl(methyl)azanide;tris(uranium(4+)).
What is the SMILES notation for hexakis([1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]azanide);ethyl(methyl)azanide;tris(uranium(4+))?
The canonical SMILES for hexakis([1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]azanide);ethyl(methyl)azanide;tris(uranium(4+)) is CC(C)c1cccc(C(C)C)c1-n1ccn(-c2c(C(C)C)cccc2C(C)C)c1=[N-].CC(C)c1cccc(C(C)C)c1-n1ccn(-c2c(C(C)C)cccc2C(C)C)c1=[N-].CC(C)c1cccc(C(C)C)c1-n1ccn(-c2c(C(C)C)cccc2C(C)C)c1=[N-].CC(C)c1cccc(C(C)C)c1-n1ccn(-c2c(C(C)C)cccc2C(C)C)c1=[N-].CC(C)c1cccc(C(C)C)c1-n1ccn(-c2c(C(C)C)cccc2C(C)C)c1=[N-].CC(C)c1cccc(C(C)C)c1-n1ccn(-c2c(C(C)C)cccc2C(C)C)c1=[N-].CC[N-]C.CC[N-]C.CC[N-]C.CC[N-]C.CC[N-]C.CC[N-]C.[U+4].[U+4].[U+4].
What is the InChIKey of hexakis([1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]azanide);ethyl(methyl)azanide;tris(uranium(4+))?
The InChIKey is MCZMMIUAXXKSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/6C27H36N3.6C3H8N.3U/c6*1-17(2)21-11-9-12-22(18(3)4)25(21)29-15-16-30(27(29)28)26-23(19(5)6)13-10-14-24(26)20(7)8;6*1-3-4-2;;;/h6*9-20H,1-8H3;6*3H2,1-2H3;;;/q12*-1;3*+4.
What are the key properties of hexakis([1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]azanide);ethyl(methyl)azanide;tris(uranium(4+))?
hexakis([1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]azanide);ethyl(methyl)azanide;tris(uranium(4+)) has a molecular weight of 3478.35 g/mol, XLogP of 49.45, 42 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis([1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]azanide);ethyl(methyl)azanide;tris(uranium(4+)) is sourced from PubChem (CID 139140599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).