aluminum;[2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-(2-propan-2-yl-6-propan-2-ylphenyl)iminopent-2-en-2-yl]azanide

C59H78AlN3 — CID 11239909

IUPACaluminum;[2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-(2-propan-2-yl-6-propan-2-ylphenyl)iminopent-2-en-2-yl]azanide
SMILESCC(C)c1cccc(C(C)C)c1-c1cccc(-c2c(C(C)C)cccc2C(C)C)c1[NH-].[Al+3].[CH2-]C(C)c1cccc(C(C)C)c1/N=C(C)/C=C(/C)[N-]c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C30H38N.C29H40N2.Al/c1-18(2)22-12-9-13-23(19(3)4)28(22)26-16-11-17-27(30(26)31)29-24(20(5)6)14-10-15-25(29)21(7)8;1-18(2)24-13-11-14-25(19(3)4)28(24)30-22(9)17-23(10)31-29-26(20(5)6)15-12-16-27(29)21(7)8;/h9-21,31H,1-8H3;11-21H,1H2,2-10H3;/q-1;-2;+3/b;23-17-,30-22+;
InChIKeyDBDNHSPUDSWIRU-WLFIQUIFSA-N
MW856.28 g/mol
LogP19.51
Rot. Bonds14

About aluminum;[2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-(2-propan-2-yl-6-propan-2-ylphenyl)iminopent-2-en-2-yl]azanide

aluminum;[2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-(2-propan-2-yl-6-propan-2-ylphenyl)iminopent-2-en-2-yl]azanide (PubChem CID 11239909) has the molecular formula C59H78AlN3 and a molecular weight of 856.28 g/mol. Its IUPAC name is aluminum;[2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-(2-propan-2-yl-6-propan-2-ylphenyl)iminopent-2-en-2-yl]azanide.

Molecular Properties

Compound Namealuminum;[2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-(2-propan-2-yl-6-propan-2-ylphenyl)iminopent-2-en-2-yl]azanide
PubChem CID11239909
Molecular FormulaC59H78AlN3
Molecular Weight856.28 g/mol
Exact Mass855.60
IUPAC Namealuminum;[2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-(2-propan-2-yl-6-propan-2-ylphenyl)iminopent-2-en-2-yl]azanide
SMILESCC(C)c1cccc(C(C)C)c1-c1cccc(-c2c(C(C)C)cccc2C(C)C)c1[NH-].[Al+3].[CH2-]C(C)c1cccc(C(C)C)c1/N=C(C)/C=C(/C)[N-]c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C30H38N.C29H40N2.Al/c1-18(2)22-12-9-13-23(19(3)4)28(22)26-16-11-17-27(30(26)31)29-24(20(5)6)14-10-15-25(29)21(7)8;1-18(2)24-13-11-14-25(19(3)4)28(24)30-22(9)17-23(10)31-29-26(20(5)6)15-12-16-27(29)21(7)8;/h9-21,31H,1-8H3;11-21H,1H2,2-10H3;/q-1;-2;+3/b;23-17-,30-22+;
InChIKeyDBDNHSPUDSWIRU-WLFIQUIFSA-N
XLogP19.51
TPSA50.26 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.28
LogP ≤ 519.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze aluminum;[2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-(2-propan-2-yl-6-propan-2-ylphenyl)iminopent-2-en-2-yl]azanide with MolForge

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Related Compounds

bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide);bis(palladium(2+));diacetate
CID 139128645
bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide);hexane;tris(oxygen(2-));bis(vanadium(4+))
CID 139180324
copper(1+);[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;pyridine
CID 139133313
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
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
copper;4-tert-butylphenolate;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide
CID 139133972
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
dialuminum;bis(2-[2-[[(Z)-4-[2,6-di(propan-2-yl)phenyl]azanidylpent-3-en-2-ylidene]amino]-3-propan-2-ylphenyl]propan-2-olate);ethoxyethane;dihydroxide
CID 139138441
[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
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
bis(4-methylphenyl)azanide;cyano-(2,6-dimethylphenyl)azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;vanadium
CID 139114175
[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 aluminum;[2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-(2-propan-2-yl-6-propan-2-ylphenyl)iminopent-2-en-2-yl]azanide?
The IUPAC name of aluminum;[2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-(2-propan-2-yl-6-propan-2-ylphenyl)iminopent-2-en-2-yl]azanide (CID 11239909) is aluminum;[2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-(2-propan-2-yl-6-propan-2-ylphenyl)iminopent-2-en-2-yl]azanide.
What is the SMILES notation for aluminum;[2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-(2-propan-2-yl-6-propan-2-ylphenyl)iminopent-2-en-2-yl]azanide?
The canonical SMILES for aluminum;[2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-(2-propan-2-yl-6-propan-2-ylphenyl)iminopent-2-en-2-yl]azanide is CC(C)c1cccc(C(C)C)c1-c1cccc(-c2c(C(C)C)cccc2C(C)C)c1[NH-].[Al+3].[CH2-]C(C)c1cccc(C(C)C)c1/N=C(C)/C=C(/C)[N-]c1c(C(C)C)cccc1C(C)C.
What is the InChIKey of aluminum;[2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-(2-propan-2-yl-6-propan-2-ylphenyl)iminopent-2-en-2-yl]azanide?
The InChIKey is DBDNHSPUDSWIRU-WLFIQUIFSA-N. The full InChI is InChI=1S/C30H38N.C29H40N2.Al/c1-18(2)22-12-9-13-23(19(3)4)28(22)26-16-11-17-27(30(26)31)29-24(20(5)6)14-10-15-25(29)21(7)8;1-18(2)24-13-11-14-25(19(3)4)28(24)30-22(9)17-23(10)31-29-26(20(5)6)15-12-16-27(29)21(7)8;/h9-21,31H,1-8H3;11-21H,1H2,2-10H3;/q-1;-2;+3/b;23-17-,30-22+;.
What are the key properties of aluminum;[2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-(2-propan-2-yl-6-propan-2-ylphenyl)iminopent-2-en-2-yl]azanide?
aluminum;[2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-(2-propan-2-yl-6-propan-2-ylphenyl)iminopent-2-en-2-yl]azanide has a molecular weight of 856.28 g/mol, XLogP of 19.51, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;[2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-(2-propan-2-yl-6-propan-2-ylphenyl)iminopent-2-en-2-yl]azanide is sourced from PubChem (CID 11239909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).