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

C68H106N6O6Sm-2 — CID 139173336

IUPACbis([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
SMILESC1COCCN2CCOCCOCCN(CCO1)CCOCCOCC2.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.[Sm]
InChIInChI=1S/2C25H35N2.C18H36N2O6.Sm/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;1-7-21-13-14-24-10-4-20-5-11-25-17-15-22-8-2-19(1)3-9-23-16-18-26-12-6-20;/h2*9-19H,1-8H3;1-18H2;/q2*-1;;
InChIKeyFWBDVWTVAAHNAR-UHFFFAOYSA-N
MW1253.99 g/mol
LogP16.81
Rot. Bonds14

About 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

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 (PubChem CID 139173336) has the molecular formula C68H106N6O6Sm-2 and a molecular weight of 1253.99 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebis([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
PubChem CID139173336
Molecular FormulaC68H106N6O6Sm-2
Molecular Weight1253.99 g/mol
Exact Mass1254.74
IUPAC Namebis([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
SMILESC1COCCN2CCOCCOCCN(CCO1)CCOCCOCC2.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.[Sm]
InChIInChI=1S/2C25H35N2.C18H36N2O6.Sm/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;1-7-21-13-14-24-10-4-20-5-11-25-17-15-22-8-2-19(1)3-9-23-16-18-26-12-6-20;/h2*9-19H,1-8H3;1-18H2;/q2*-1;;
InChIKeyFWBDVWTVAAHNAR-UHFFFAOYSA-N
XLogP16.81
TPSA114.78 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001253.99
LogP ≤ 516.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

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
N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;cobalt
CID 69498606
N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;carbanide;nickel
CID 21339154
N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;dibromonickel
CID 21339155
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
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
N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenyl]methanimine
CID 2755070
[2,6-di(propan-2-yl)phenyl]iminotantalum
CID 10864957
tris(2,6-di(propan-2-yl)phenolate);lanthanum(3+);oxolane
CID 139157940
9-N,10-N-bis[2,6-di(propan-2-yl)phenyl]phenanthrene-9,10-diimine;oxolane
CID 139157818
N-[2,6-di(propan-2-yl)phenyl]-1-(furan-2-yl)methanimine
CID 850160
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1COCCN2CCOCCOCCN(CCO1)CCOCCOCC2.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.[Sm].
What is the InChIKey of 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?
The InChIKey is FWBDVWTVAAHNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H35N2.C18H36N2O6.Sm/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;1-7-21-13-14-24-10-4-20-5-11-25-17-15-22-8-2-19(1)3-9-23-16-18-26-12-6-20;/h2*9-19H,1-8H3;1-18H2;/q2*-1;;.
What are the key properties of 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?
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 has a molecular weight of 1253.99 g/mol, XLogP of 16.81, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 139173336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).