3-phenyl-2-[2-[[4-[2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenoxy]-1,3,2,4-dioxadialumetan-2-yl]oxy]phenyl]imidazo[4,5-b]pyridine

C36H24Al2N6O4 — CID 59879722

IUPAC3-phenyl-2-[2-[[4-[2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenoxy]-1,3,2,4-dioxadialumetan-2-yl]oxy]phenyl]imidazo[4,5-b]pyridine
SMILESc1ccc(-n2c(-c3ccccc3O[Al]3O[Al](Oc4ccccc4-c4nc5cccnc5n4-c4ccccc4)O3)nc3cccnc32)cc1
InChIInChI=1S/2C18H13N3O.2Al.2O/c2*22-16-11-5-4-9-14(16)17-20-15-10-6-12-19-18(15)21(17)13-7-2-1-3-8-13;;;;/h2*1-12,22H;;;;/q;;2*+1;;/p-2
InChIKeyNIKVASNLPNYSNB-UHFFFAOYSA-L
MW658.59 g/mol
LogP6.96
Rot. Bonds8

About 3-phenyl-2-[2-[[4-[2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenoxy]-1,3,2,4-dioxadialumetan-2-yl]oxy]phenyl]imidazo[4,5-b]pyridine

3-phenyl-2-[2-[[4-[2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenoxy]-1,3,2,4-dioxadialumetan-2-yl]oxy]phenyl]imidazo[4,5-b]pyridine (PubChem CID 59879722) has the molecular formula C36H24Al2N6O4 and a molecular weight of 658.59 g/mol. Its IUPAC name is 3-phenyl-2-[2-[[4-[2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenoxy]-1,3,2,4-dioxadialumetan-2-yl]oxy]phenyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-phenyl-2-[2-[[4-[2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenoxy]-1,3,2,4-dioxadialumetan-2-yl]oxy]phenyl]imidazo[4,5-b]pyridine
PubChem CID59879722
Molecular FormulaC36H24Al2N6O4
Molecular Weight658.59 g/mol
Exact Mass658.15
IUPAC Name3-phenyl-2-[2-[[4-[2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenoxy]-1,3,2,4-dioxadialumetan-2-yl]oxy]phenyl]imidazo[4,5-b]pyridine
SMILESc1ccc(-n2c(-c3ccccc3O[Al]3O[Al](Oc4ccccc4-c4nc5cccnc5n4-c4ccccc4)O3)nc3cccnc32)cc1
InChIInChI=1S/2C18H13N3O.2Al.2O/c2*22-16-11-5-4-9-14(16)17-20-15-10-6-12-19-18(15)21(17)13-7-2-1-3-8-13;;;;/h2*1-12,22H;;;;/q;;2*+1;;/p-2
InChIKeyNIKVASNLPNYSNB-UHFFFAOYSA-L
XLogP6.96
TPSA98.34 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.59
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3-phenyl-2-[2-[[4-[2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenoxy]-1,3,2,4-dioxadialumetan-2-yl]oxy]phenyl]imidazo[4,5-b]pyridine with MolForge

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Related Compounds

2-[[2-(2-Hydroxyphenyl)-4-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-1-yl]methyl]phenol
CID 145955961
CID 139166817
CID 139166817
CID 58803407
CID 58803407
2-[3-[3-(Trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenol;ZINC
CID 136066844
Imidazo[1,2-a]pyridin-6-ylboronic acid;6-[2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine;[2-(6-methyl-2-pyridinyl)phenyl] trifluoromethanesulfonate
CID 162226731
6,8-Dimethyl-2-(4-methoxyphenyl)imidazo[1,2-a]1,8-naphthyridine
CID 139055156
bis(nickel(2+));bis(2-[[2-[(E)-(2-oxidophenyl)methylideneamino]-3-pyridinyl]iminomethyl]phenolate)
CID 139056067
(9R)-5-bromo-9'-hydroxyspiro[8-oxa-16-aza-10-azonia-9-boranuidatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,10,12,14-heptaene-9,7'-8-oxa-9-bora-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene]
CID 139064688
Bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylphenolate;ruthenium(2+);tetrafluoroborate
CID 139140066
Acetonitrile;2-imidazol-3-id-2-ylphenolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+)
CID 139140069
Bis(oxygen(2-));2-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)phenolate;vanadium
CID 139162542
Dicopper;bis(2-[[(1-methylimidazol-2-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate);diperchlorate
CID 139166075

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[2-[[4-[2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenoxy]-1,3,2,4-dioxadialumetan-2-yl]oxy]phenyl]imidazo[4,5-b]pyridine?
The IUPAC name of 3-phenyl-2-[2-[[4-[2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenoxy]-1,3,2,4-dioxadialumetan-2-yl]oxy]phenyl]imidazo[4,5-b]pyridine (CID 59879722) is 3-phenyl-2-[2-[[4-[2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenoxy]-1,3,2,4-dioxadialumetan-2-yl]oxy]phenyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-phenyl-2-[2-[[4-[2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenoxy]-1,3,2,4-dioxadialumetan-2-yl]oxy]phenyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 3-phenyl-2-[2-[[4-[2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenoxy]-1,3,2,4-dioxadialumetan-2-yl]oxy]phenyl]imidazo[4,5-b]pyridine is c1ccc(-n2c(-c3ccccc3O[Al]3O[Al](Oc4ccccc4-c4nc5cccnc5n4-c4ccccc4)O3)nc3cccnc32)cc1.
What is the InChIKey of 3-phenyl-2-[2-[[4-[2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenoxy]-1,3,2,4-dioxadialumetan-2-yl]oxy]phenyl]imidazo[4,5-b]pyridine?
The InChIKey is NIKVASNLPNYSNB-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H13N3O.2Al.2O/c2*22-16-11-5-4-9-14(16)17-20-15-10-6-12-19-18(15)21(17)13-7-2-1-3-8-13;;;;/h2*1-12,22H;;;;/q;;2*+1;;/p-2.
What are the key properties of 3-phenyl-2-[2-[[4-[2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenoxy]-1,3,2,4-dioxadialumetan-2-yl]oxy]phenyl]imidazo[4,5-b]pyridine?
3-phenyl-2-[2-[[4-[2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenoxy]-1,3,2,4-dioxadialumetan-2-yl]oxy]phenyl]imidazo[4,5-b]pyridine has a molecular weight of 658.59 g/mol, XLogP of 6.96, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[2-[[4-[2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenoxy]-1,3,2,4-dioxadialumetan-2-yl]oxy]phenyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 59879722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).