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+))

C79H108N4S2Yb2 — CID 139108350

IUPACbis([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+))
SMILESCC(C)c1cccc(C(C)C)c1/N=C(\[N-]c1c(C(C)C)cccc1C(C)C)C(C)(C)C.CC(C)c1cccc(C(C)C)c1/N=C(\[N-]c1c(C(C)C)cccc1C(C)C)C(C)(C)C.Cc1ccccc1.[S-]Cc1ccccc1.[S-]Cc1ccccc1.[Yb+2].[Yb+2]
InChIInChI=1S/2C29H43N2.2C7H8S.C7H8.2Yb/c2*1-18(2)22-14-12-15-23(19(3)4)26(22)30-28(29(9,10)11)31-27-24(20(5)6)16-13-17-25(27)21(7)8;2*8-6-7-4-2-1-3-5-7;1-7-5-3-2-4-6-7;;/h2*12-21H,1-11H3;2*1-5,8H,6H2;2-6H,1H3;;/q2*-1;;;;2*+2/p-2
InChIKeyJBYFLTUWCSAHQI-UHFFFAOYSA-L
MW1523.97 g/mol
LogP25.39
Rot. Bonds14

About 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+))

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+)) (PubChem CID 139108350) has the molecular formula C79H108N4S2Yb2 and a molecular weight of 1523.97 g/mol. Its IUPAC name is 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+)).

Molecular Properties

Compound Namebis([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+))
PubChem CID139108350
Molecular FormulaC79H108N4S2Yb2
Molecular Weight1523.97 g/mol
Exact Mass1524.68
IUPAC Namebis([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+))
SMILESCC(C)c1cccc(C(C)C)c1/N=C(\[N-]c1c(C(C)C)cccc1C(C)C)C(C)(C)C.CC(C)c1cccc(C(C)C)c1/N=C(\[N-]c1c(C(C)C)cccc1C(C)C)C(C)(C)C.Cc1ccccc1.[S-]Cc1ccccc1.[S-]Cc1ccccc1.[Yb+2].[Yb+2]
InChIInChI=1S/2C29H43N2.2C7H8S.C7H8.2Yb/c2*1-18(2)22-14-12-15-23(19(3)4)26(22)30-28(29(9,10)11)31-27-24(20(5)6)16-13-17-25(27)21(7)8;2*8-6-7-4-2-1-3-5-7;1-7-5-3-2-4-6-7;;/h2*12-21H,1-11H3;2*1-5,8H,6H2;2-6H,1H3;;/q2*-1;;;;2*+2/p-2
InChIKeyJBYFLTUWCSAHQI-UHFFFAOYSA-L
XLogP25.39
TPSA52.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001523.97
LogP ≤ 525.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Analyze 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+)) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine);nickel;toluene
CID 139138147
[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
tetramagnesium;tetrakis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide);toluene;tetraiodide
CID 139088211
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
magnesium;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;2H-pyrazin-2-ide;toluene
CID 139187331
[2,6-di(propan-2-yl)phenyl]-[N'-[2,6-di(propan-2-yl)phenyl]-N,N-di(propan-2-yl)carbamimidoyl]azanide
CID 102382050
[2,6-di(propan-2-yl)phenyl]-[(E)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1-trifluoropent-2-en-2-yl]azanide
CID 177489301
[2,6-di(propan-2-yl)phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-5-[2,6-di(propan-2-yl)phenyl]imino-2,2,6,6-tetramethylhept-3-en-3-yl]azanide;iron(2+)
CID 139130265
N-[2-[2,6-di(propan-2-yl)phenyl]imino-3-phenylpropyl]-2,6-dimethylaniline
CID 101440233
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
N-[2-[2,6-di(propan-2-yl)phenyl]imino-3-phenylpropyl]-2,6-di(propan-2-yl)aniline
CID 102088416

Frequently Asked Questions

What is the IUPAC name of 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+))?
The IUPAC name of 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) is 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+)).
What is the SMILES notation for 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+))?
The canonical SMILES for 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+)) is CC(C)c1cccc(C(C)C)c1/N=C(\[N-]c1c(C(C)C)cccc1C(C)C)C(C)(C)C.CC(C)c1cccc(C(C)C)c1/N=C(\[N-]c1c(C(C)C)cccc1C(C)C)C(C)(C)C.Cc1ccccc1.[S-]Cc1ccccc1.[S-]Cc1ccccc1.[Yb+2].[Yb+2].
What is the InChIKey of 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+))?
The InChIKey is JBYFLTUWCSAHQI-UHFFFAOYSA-L. The full InChI is InChI=1S/2C29H43N2.2C7H8S.C7H8.2Yb/c2*1-18(2)22-14-12-15-23(19(3)4)26(22)30-28(29(9,10)11)31-27-24(20(5)6)16-13-17-25(27)21(7)8;2*8-6-7-4-2-1-3-5-7;1-7-5-3-2-4-6-7;;/h2*12-21H,1-11H3;2*1-5,8H,6H2;2-6H,1H3;;/q2*-1;;;;2*+2/p-2.
What are the key properties of 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+))?
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+)) has a molecular weight of 1523.97 g/mol, XLogP of 25.39, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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+)) is sourced from PubChem (CID 139108350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).