aluminum tris(6-(2-hydroxyphenyl)-5-phenyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one)

C54H39AlN9O6+3 — CID 175810779

IUPACaluminum tris(6-(2-hydroxyphenyl)-5-phenyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one)
SMILESO=c1[nH]c2cc(-c3ccccc3O)c(-c3ccccc3)nc2[nH]1.O=c1[nH]c2cc(-c3ccccc3O)c(-c3ccccc3)nc2[nH]1.O=c1[nH]c2cc(-c3ccccc3O)c(-c3ccccc3)nc2[nH]1.[Al+3]
InChIInChI=1S/3C18H13N3O2.Al/c3*22-15-9-5-4-8-12(15)13-10-14-17(21-18(23)19-14)20-16(13)11-6-2-1-3-7-11;/h3*1-10,22H,(H2,19,20,21,23);/q;;;+3
InChIKeyMSEDUHDCSLETAJ-UHFFFAOYSA-N
MW936.95 g/mol
LogP9.49
Rot. Bonds6

About aluminum tris(6-(2-hydroxyphenyl)-5-phenyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one)

aluminum tris(6-(2-hydroxyphenyl)-5-phenyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one) (PubChem CID 175810779) has the molecular formula C54H39AlN9O6+3 and a molecular weight of 936.95 g/mol. Its IUPAC name is aluminum tris(6-(2-hydroxyphenyl)-5-phenyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one).

Molecular Properties

Compound Namealuminum tris(6-(2-hydroxyphenyl)-5-phenyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one)
PubChem CID175810779
Molecular FormulaC54H39AlN9O6+3
Molecular Weight936.95 g/mol
Exact Mass936.28
IUPAC Namealuminum tris(6-(2-hydroxyphenyl)-5-phenyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one)
SMILESO=c1[nH]c2cc(-c3ccccc3O)c(-c3ccccc3)nc2[nH]1.O=c1[nH]c2cc(-c3ccccc3O)c(-c3ccccc3)nc2[nH]1.O=c1[nH]c2cc(-c3ccccc3O)c(-c3ccccc3)nc2[nH]1.[Al+3]
InChIInChI=1S/3C18H13N3O2.Al/c3*22-15-9-5-4-8-12(15)13-10-14-17(21-18(23)19-14)20-16(13)11-6-2-1-3-7-11;/h3*1-10,22H,(H2,19,20,21,23);/q;;;+3
InChIKeyMSEDUHDCSLETAJ-UHFFFAOYSA-N
XLogP9.49
TPSA245.31 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500936.95
LogP ≤ 59.49
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of aluminum tris(6-(2-hydroxyphenyl)-5-phenyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one)?
The IUPAC name of aluminum tris(6-(2-hydroxyphenyl)-5-phenyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one) (CID 175810779) is aluminum tris(6-(2-hydroxyphenyl)-5-phenyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one).
What is the SMILES notation for aluminum tris(6-(2-hydroxyphenyl)-5-phenyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one)?
The canonical SMILES for aluminum tris(6-(2-hydroxyphenyl)-5-phenyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one) is O=c1[nH]c2cc(-c3ccccc3O)c(-c3ccccc3)nc2[nH]1.O=c1[nH]c2cc(-c3ccccc3O)c(-c3ccccc3)nc2[nH]1.O=c1[nH]c2cc(-c3ccccc3O)c(-c3ccccc3)nc2[nH]1.[Al+3].
What is the InChIKey of aluminum tris(6-(2-hydroxyphenyl)-5-phenyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one)?
The InChIKey is MSEDUHDCSLETAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C18H13N3O2.Al/c3*22-15-9-5-4-8-12(15)13-10-14-17(21-18(23)19-14)20-16(13)11-6-2-1-3-7-11;/h3*1-10,22H,(H2,19,20,21,23);/q;;;+3.
What are the key properties of aluminum tris(6-(2-hydroxyphenyl)-5-phenyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one)?
aluminum tris(6-(2-hydroxyphenyl)-5-phenyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one) has a molecular weight of 936.95 g/mol, XLogP of 9.49, 6 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum tris(6-(2-hydroxyphenyl)-5-phenyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one) is sourced from PubChem (CID 175810779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).