[C-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]carbonimidoyl]-[2-[C-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]carbonimidoyl]azanidylphenyl]azanide;oxolane;ytterbium(2+)

C44H64N4OYb — CID 139174947

IUPAC[C-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]carbonimidoyl]-[2-[C-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]carbonimidoyl]azanidylphenyl]azanide;oxolane;ytterbium(2+)
SMILESC1CCOC1.CC(C)c1cccc(C(C)C)c1/N=C(/[N-]c1ccccc1[N-]/C(=N/c1c(C(C)C)cccc1C(C)C)C(C)(C)C)C(C)(C)C.[Yb+2]
InChIInChI=1S/C40H56N4.C4H8O.Yb/c1-25(2)29-19-17-20-30(26(3)4)35(29)43-37(39(9,10)11)41-33-23-15-16-24-34(33)42-38(40(12,13)14)44-36-31(27(5)6)21-18-22-32(36)28(7)8;1-2-4-5-3-1;/h15-28H,1-14H3;1-4H2;/q-2;;+2
InChIKeyRBZXJRWUHDLNER-UHFFFAOYSA-N
MW838.06 g/mol
LogP14.54
Rot. Bonds8

About [C-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]carbonimidoyl]-[2-[C-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]carbonimidoyl]azanidylphenyl]azanide;oxolane;ytterbium(2+)

[C-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]carbonimidoyl]-[2-[C-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]carbonimidoyl]azanidylphenyl]azanide;oxolane;ytterbium(2+) (PubChem CID 139174947) has the molecular formula C44H64N4OYb and a molecular weight of 838.06 g/mol. Its IUPAC name is [C-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]carbonimidoyl]-[2-[C-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]carbonimidoyl]azanidylphenyl]azanide;oxolane;ytterbium(2+).

Molecular Properties

Compound Name[C-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]carbonimidoyl]-[2-[C-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]carbonimidoyl]azanidylphenyl]azanide;oxolane;ytterbium(2+)
PubChem CID139174947
Molecular FormulaC44H64N4OYb
Molecular Weight838.06 g/mol
Exact Mass838.45
IUPAC Name[C-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]carbonimidoyl]-[2-[C-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]carbonimidoyl]azanidylphenyl]azanide;oxolane;ytterbium(2+)
SMILESC1CCOC1.CC(C)c1cccc(C(C)C)c1/N=C(/[N-]c1ccccc1[N-]/C(=N/c1c(C(C)C)cccc1C(C)C)C(C)(C)C)C(C)(C)C.[Yb+2]
InChIInChI=1S/C40H56N4.C4H8O.Yb/c1-25(2)29-19-17-20-30(26(3)4)35(29)43-37(39(9,10)11)41-33-23-15-16-24-34(33)42-38(40(12,13)14)44-36-31(27(5)6)21-18-22-32(36)28(7)8;1-2-4-5-3-1;/h15-28H,1-14H3;1-4H2;/q-2;;+2
InChIKeyRBZXJRWUHDLNER-UHFFFAOYSA-N
XLogP14.54
TPSA62.15 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500838.06
LogP ≤ 514.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

lithium;[C-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]carbonimidoyl]-[2,6-di(propan-2-yl)phenyl]phosphanide;oxolane
CID 139150307
azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;manganese(2+);oxolane
CID 153286122
benzenethiolate;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;oxolane;samarium(3+)
CID 162409254
bis([C-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]carbonimidoyl]-[2,6-di(propan-2-yl)phenyl]azanide);phenylmethanethiolate;toluene;bis(ytterbium(2+))
CID 139108350
9-N,10-N-bis[2,6-di(propan-2-yl)phenyl]phenanthrene-9,10-diimine;oxolane
CID 139157818
bis([2-[2,6-di(propan-2-yl)anilino]-1-fluoren-9-ylideneethyl]-[2,6-di(propan-2-yl)phenyl]azanide);oxolane;ytterbium(2+)
CID 11309408
tris(2,6-di(propan-2-yl)phenolate);lanthanum(3+);oxolane
CID 139157940
lithium;[2,6-di(propan-2-yl)phenyl]-[1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethenyl]azanide;oxolane;toluene
CID 139106349
CID 6389258
CID 6389258
tris(2,6-di(propan-2-yl)phenolate);neodymium(3+);oxolane;toluene
CID 139157933
bis([2,6-di(propan-2-yl)phenyl]-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]azanide);molybdenum
CID 139115698
[2,6-di(propan-2-yl)phenyl]-[3-[2,6-di(propan-2-yl)phenyl]iminobut-1-en-2-yl]azanide
CID 23523221

Frequently Asked Questions

What is the IUPAC name of [C-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]carbonimidoyl]-[2-[C-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]carbonimidoyl]azanidylphenyl]azanide;oxolane;ytterbium(2+)?
The IUPAC name of [C-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]carbonimidoyl]-[2-[C-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]carbonimidoyl]azanidylphenyl]azanide;oxolane;ytterbium(2+) (CID 139174947) is [C-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]carbonimidoyl]-[2-[C-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]carbonimidoyl]azanidylphenyl]azanide;oxolane;ytterbium(2+).
What is the SMILES notation for [C-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]carbonimidoyl]-[2-[C-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]carbonimidoyl]azanidylphenyl]azanide;oxolane;ytterbium(2+)?
The canonical SMILES for [C-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]carbonimidoyl]-[2-[C-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]carbonimidoyl]azanidylphenyl]azanide;oxolane;ytterbium(2+) is C1CCOC1.CC(C)c1cccc(C(C)C)c1/N=C(/[N-]c1ccccc1[N-]/C(=N/c1c(C(C)C)cccc1C(C)C)C(C)(C)C)C(C)(C)C.[Yb+2].
What is the InChIKey of [C-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]carbonimidoyl]-[2-[C-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]carbonimidoyl]azanidylphenyl]azanide;oxolane;ytterbium(2+)?
The InChIKey is RBZXJRWUHDLNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H56N4.C4H8O.Yb/c1-25(2)29-19-17-20-30(26(3)4)35(29)43-37(39(9,10)11)41-33-23-15-16-24-34(33)42-38(40(12,13)14)44-36-31(27(5)6)21-18-22-32(36)28(7)8;1-2-4-5-3-1;/h15-28H,1-14H3;1-4H2;/q-2;;+2.
What are the key properties of [C-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]carbonimidoyl]-[2-[C-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]carbonimidoyl]azanidylphenyl]azanide;oxolane;ytterbium(2+)?
[C-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]carbonimidoyl]-[2-[C-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]carbonimidoyl]azanidylphenyl]azanide;oxolane;ytterbium(2+) has a molecular weight of 838.06 g/mol, XLogP of 14.54, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [C-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]carbonimidoyl]-[2-[C-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]carbonimidoyl]azanidylphenyl]azanide;oxolane;ytterbium(2+) is sourced from PubChem (CID 139174947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).