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

C62H92Al2N4O5 — CID 139138441

About 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

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 (PubChem CID 139138441) has the molecular formula C62H92Al2N4O5 and a molecular weight of 1027.40 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 139138441
• Molecular Formula: C62H92Al2N4O5
• Molecular Weight: 1027.40 g/mol
• Exact Mass: 1026.67
• IUPAC Name: 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
• SMILES: C/C(=C/C(C)=N\c1c(C(C)C)cccc1C(C)(C)[O-])[N-]c1c(C(C)C)cccc1C(C)C.C/C(=C/C(C)=N\c1c(C(C)C)cccc1C(C)(C)[O-])[N-]c1c(C(C)C)cccc1C(C)C.CCOCC.[Al+3].[Al+3].[OH-].[OH-]
• InChI: InChI=1S/2C29H40N2O.C4H10O.2Al.2H2O/c2*1-18(2)23-13-11-14-24(19(3)4)27(23)30-21(7)17-22(8)31-28-25(20(5)6)15-12-16-26(28)29(9,10)32;1-3-5-4-2;;;;/h2*11-20H,1-10H3;3-4H2,1-2H3;;;2*1H2/q2*-2;;2*+3;;/p-2/b2*21-17-,31-22-
• InChIKey: RUVPODZSGLKSDC-IFCRYSIISA-L
• XLogP: 16.64
• TPSA: 168.27 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 18
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1027.40
LogP ≤ 5	16.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C/C(=C/C(C)=N\c1c(C(C)C)cccc1C(C)(C)[O-])[N-]c1c(C(C)C)cccc1C(C)C.C/C(=C/C(C)=N\c1c(C(C)C)cccc1C(C)(C)[O-])[N-]c1c(C(C)C)cccc1C(C)C.CCOCC.[Al+3].[Al+3].[OH-].[OH-].

What is the InChIKey of 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?

The InChIKey is RUVPODZSGLKSDC-IFCRYSIISA-L. The full InChI is InChI=1S/2C29H40N2O.C4H10O.2Al.2H2O/c2*1-18(2)23-13-11-14-24(19(3)4)27(23)30-21(7)17-22(8)31-28-25(20(5)6)15-12-16-26(28)29(9,10)32;1-3-5-4-2;;;;/h2*11-20H,1-10H3;3-4H2,1-2H3;;;2*1H2/q2*-2;;2*+3;;/p-2/b2*21-17-,31-22-;;;;;.

What are the key properties of 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?

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 has a molecular weight of 1027.40 g/mol, XLogP of 16.64, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 139138441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).