carbon monoxide;bis([2,6-di(propan-2-yl)phenyl]-[[2,6-di(propan-2-yl)phenyl]iminomethyl]azanide);manganese;oxolane;toluene;ytterbium

C73H94MnN4O6Yb-2 — CID 139189759

IUPACcarbon monoxide;bis([2,6-di(propan-2-yl)phenyl]-[[2,6-di(propan-2-yl)phenyl]iminomethyl]azanide);manganese;oxolane;toluene;ytterbium
SMILESC1CCOC1.CC(C)c1cccc(C(C)C)c1/N=C/[N-]c1c(C(C)C)cccc1C(C)C.CC(C)c1cccc(C(C)C)c1/N=C/[N-]c1c(C(C)C)cccc1C(C)C.Cc1ccccc1.Cc1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn].[Yb]
InChIInChI=1S/2C25H35N2.2C7H8.C4H8O.5CO.Mn.Yb/c2*1-16(2)20-11-9-12-21(17(3)4)24(20)26-15-27-25-22(18(5)6)13-10-14-23(25)19(7)8;2*1-7-5-3-2-4-6-7;1-2-4-5-3-1;5*1-2;;/h2*9-19H,1-8H3;2*2-6H,1H3;1-4H2;;;;;;;/q2*-1;;;;;;;;;;
InChIKeyLEAQHEFPFBIYNR-UHFFFAOYSA-N
MW1351.55 g/mol
LogP21.69
Rot. Bonds14

About carbon monoxide;bis([2,6-di(propan-2-yl)phenyl]-[[2,6-di(propan-2-yl)phenyl]iminomethyl]azanide);manganese;oxolane;toluene;ytterbium

carbon monoxide;bis([2,6-di(propan-2-yl)phenyl]-[[2,6-di(propan-2-yl)phenyl]iminomethyl]azanide);manganese;oxolane;toluene;ytterbium (PubChem CID 139189759) has the molecular formula C73H94MnN4O6Yb-2 and a molecular weight of 1351.55 g/mol. Its IUPAC name is carbon monoxide;bis([2,6-di(propan-2-yl)phenyl]-[[2,6-di(propan-2-yl)phenyl]iminomethyl]azanide);manganese;oxolane;toluene;ytterbium.

Molecular Properties

Compound Namecarbon monoxide;bis([2,6-di(propan-2-yl)phenyl]-[[2,6-di(propan-2-yl)phenyl]iminomethyl]azanide);manganese;oxolane;toluene;ytterbium
PubChem CID139189759
Molecular FormulaC73H94MnN4O6Yb-2
Molecular Weight1351.55 g/mol
Exact Mass1351.60
IUPAC Namecarbon monoxide;bis([2,6-di(propan-2-yl)phenyl]-[[2,6-di(propan-2-yl)phenyl]iminomethyl]azanide);manganese;oxolane;toluene;ytterbium
SMILESC1CCOC1.CC(C)c1cccc(C(C)C)c1/N=C/[N-]c1c(C(C)C)cccc1C(C)C.CC(C)c1cccc(C(C)C)c1/N=C/[N-]c1c(C(C)C)cccc1C(C)C.Cc1ccccc1.Cc1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn].[Yb]
InChIInChI=1S/2C25H35N2.2C7H8.C4H8O.5CO.Mn.Yb/c2*1-16(2)20-11-9-12-21(17(3)4)24(20)26-15-27-25-22(18(5)6)13-10-14-23(25)19(7)8;2*1-7-5-3-2-4-6-7;1-2-4-5-3-1;5*1-2;;/h2*9-19H,1-8H3;2*2-6H,1H3;1-4H2;;;;;;;/q2*-1;;;;;;;;;;
InChIKeyLEAQHEFPFBIYNR-UHFFFAOYSA-N
XLogP21.69
TPSA161.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001351.55
LogP ≤ 521.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis([2,6-di(propan-2-yl)phenyl]-[[2,6-di(propan-2-yl)phenyl]iminomethyl]azanide);4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane;samarium
CID 139173336
tris(2,6-di(propan-2-yl)phenolate);neodymium(3+);oxolane;toluene
CID 139157933
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
potassium;[2,6-di(propan-2-yl)phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-3-[2,6-di(propan-2-yl)phenyl]imino-2-phenylprop-1-enyl]azanide;ethoxyethane;oxolane;yttrium(3+);dichloride
CID 139151141
oxane;oxolane;toluene
CID 70182101
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
9-N,10-N-bis[2,6-di(propan-2-yl)phenyl]phenanthrene-9,10-diimine;oxolane
CID 139157818
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
tris(2,6-di(propan-2-yl)phenolate);lanthanum(3+);oxolane
CID 139157940
bis(2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine);nickel;toluene
CID 139138147
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
N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;cobalt
CID 69498606

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;bis([2,6-di(propan-2-yl)phenyl]-[[2,6-di(propan-2-yl)phenyl]iminomethyl]azanide);manganese;oxolane;toluene;ytterbium?
The IUPAC name of carbon monoxide;bis([2,6-di(propan-2-yl)phenyl]-[[2,6-di(propan-2-yl)phenyl]iminomethyl]azanide);manganese;oxolane;toluene;ytterbium (CID 139189759) is carbon monoxide;bis([2,6-di(propan-2-yl)phenyl]-[[2,6-di(propan-2-yl)phenyl]iminomethyl]azanide);manganese;oxolane;toluene;ytterbium.
What is the SMILES notation for carbon monoxide;bis([2,6-di(propan-2-yl)phenyl]-[[2,6-di(propan-2-yl)phenyl]iminomethyl]azanide);manganese;oxolane;toluene;ytterbium?
The canonical SMILES for carbon monoxide;bis([2,6-di(propan-2-yl)phenyl]-[[2,6-di(propan-2-yl)phenyl]iminomethyl]azanide);manganese;oxolane;toluene;ytterbium is C1CCOC1.CC(C)c1cccc(C(C)C)c1/N=C/[N-]c1c(C(C)C)cccc1C(C)C.CC(C)c1cccc(C(C)C)c1/N=C/[N-]c1c(C(C)C)cccc1C(C)C.Cc1ccccc1.Cc1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn].[Yb].
What is the InChIKey of carbon monoxide;bis([2,6-di(propan-2-yl)phenyl]-[[2,6-di(propan-2-yl)phenyl]iminomethyl]azanide);manganese;oxolane;toluene;ytterbium?
The InChIKey is LEAQHEFPFBIYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H35N2.2C7H8.C4H8O.5CO.Mn.Yb/c2*1-16(2)20-11-9-12-21(17(3)4)24(20)26-15-27-25-22(18(5)6)13-10-14-23(25)19(7)8;2*1-7-5-3-2-4-6-7;1-2-4-5-3-1;5*1-2;;/h2*9-19H,1-8H3;2*2-6H,1H3;1-4H2;;;;;;;/q2*-1;;;;;;;;;;.
What are the key properties of carbon monoxide;bis([2,6-di(propan-2-yl)phenyl]-[[2,6-di(propan-2-yl)phenyl]iminomethyl]azanide);manganese;oxolane;toluene;ytterbium?
carbon monoxide;bis([2,6-di(propan-2-yl)phenyl]-[[2,6-di(propan-2-yl)phenyl]iminomethyl]azanide);manganese;oxolane;toluene;ytterbium has a molecular weight of 1351.55 g/mol, XLogP of 21.69, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;bis([2,6-di(propan-2-yl)phenyl]-[[2,6-di(propan-2-yl)phenyl]iminomethyl]azanide);manganese;oxolane;toluene;ytterbium is sourced from PubChem (CID 139189759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).