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aluminium(3+) 2-{[(2-{[bis(2-hydroxyphenyl)methyl]amino}-1,2-diphenylethyl)amino](2-hydroxyphenyl)methyl}phenol

aluminium(3+) 2-{[(2-{[bis(2-hydroxyphenyl)methyl]amino}-1,2-diphenylethyl)amino](2-hydroxyphenyl)methyl}phenol

Formula: C40H36AlN2O4

SMILES: [Al+3].OC1=CC=CC=C1C(NC(C(NC(C1=CC=CC=C1O)C1=CC=CC=C1O)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1O

IUPAC: aluminium(3+) 2-{[(2-{[bis(2-hydroxyphenyl)methyl]amino}-1,2-diphenylethyl)amino](2-hydroxyphenyl)methyl}phenol

InChI: InChI=1/C40H36N2O4.Al/c43-33-23-11-7-19-29(33)39(30-20-8-12-24-34(30)44)41-37(27-15-3-1-4-16-27)38(28-17-5-2-6-18-28)42-40(31-21-9-13-25-35(31)45)32-22-10-14-26-36(32)46;/h1-26,37-46H;/q;+3

Composition: C (75.57%), H (5.71%), Al (4.24%), N (4.41%), O (10.07%)

Molar Mass: 635.718

Atom Count: 83

Heavy Atom Count: 47

Properties
Properties
Common Names N/A
Aromatic Ring Count 6
Asymmetric Atom Count 2
Exact Mass 635.2474004
Formal Charge 3
FSP3 0.1
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 6
InChIKey UMTICJLPUZIKPV-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 181.7
Topological Polar Surface Area 104.98
Polarizability 71.19
Ring Count 6
Rotatable Bond Count 11

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Purity (%)
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Packet Size
Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <14 Days C40H36AlN2O4 Quote Only