3-dibenzofuran-4-yl-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-[2-(phenoxymethyl)phenyl]-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(4-phenoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylbenzamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide

C189H138N16O13 — CID 159709376

IUPAC3-dibenzofuran-4-yl-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-[2-(phenoxymethyl)phenyl]-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(4-phenoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylbenzamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1.O=C(Nc1ccccc1)c1ccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1.O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1.O=C(O)c1cccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)c1.c1ccc(-c2cnc3[nH]cc(-c4cccc5c4oc4ccccc45)c3c2)cc1.c1ccc(OCc2ccccc2-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1.c1ccc(Oc2ccc(-c3c[nH]c4ncc(-c5ccccc5)cc34)cc2)cc1
InChIInChI=1S/C32H23N3O2.C29H25N3O2.2C26H18N2O3.C26H20N2O.C25H16N2O.C25H18N2O/c36-32(35-25-9-3-1-4-10-25)23-17-15-22(16-18-23)29-21-34-31-28(29)19-24(20-33-31)27-13-7-8-14-30(27)37-26-11-5-2-6-12-26;1-2-16-30-29(33)21-14-12-20(13-15-21)26-19-32-28-25(26)17-22(18-31-28)24-10-6-7-11-27(24)34-23-8-4-3-5-9-23;29-26(30)18-8-6-7-17(13-18)23-16-28-25-22(23)14-19(15-27-25)21-11-4-5-12-24(21)31-20-9-2-1-3-10-20;29-26(30)18-12-10-17(11-13-18)23-16-28-25-22(23)14-19(15-27-25)21-8-4-5-9-24(21)31-20-6-2-1-3-7-20;1-3-9-19(10-4-1)21-15-24-25(17-28-26(24)27-16-21)23-14-8-7-11-20(23)18-29-22-12-5-2-6-13-22;1-2-7-16(8-3-1)17-13-21-22(15-27-25(21)26-14-17)20-11-6-10-19-18-9-4-5-12-23(18)28-24(19)20;1-3-7-18(8-4-1)20-15-23-24(17-27-25(23)26-16-20)19-11-13-22(14-12-19)28-21-9-5-2-6-10-21/h1-21H,(H,33,34)(H,35,36);3-15,17-19H,2,16H2,1H3,(H,30,33)(H,31,32);2*1-16H,(H,27,28)(H,29,30);1-17H,18H2,(H,27,28);1-15H,(H,26,27);1-17H,(H,26,27)
InChIKeyMYQBSYBCBQYKCJ-UHFFFAOYSA-N
MW2841.28 g/mol
LogP47.51
Rot. Bonds34

About 3-dibenzofuran-4-yl-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-[2-(phenoxymethyl)phenyl]-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(4-phenoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylbenzamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide

3-dibenzofuran-4-yl-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-[2-(phenoxymethyl)phenyl]-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(4-phenoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylbenzamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide (PubChem CID 159709376) has the molecular formula C189H138N16O13 and a molecular weight of 2841.28 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-[2-(phenoxymethyl)phenyl]-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(4-phenoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylbenzamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide.

Molecular Properties

Compound Name3-dibenzofuran-4-yl-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-[2-(phenoxymethyl)phenyl]-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(4-phenoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylbenzamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide
PubChem CID159709376
Molecular FormulaC189H138N16O13
Molecular Weight2841.28 g/mol
Exact Mass2839.06
IUPAC Name3-dibenzofuran-4-yl-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-[2-(phenoxymethyl)phenyl]-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(4-phenoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylbenzamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1.O=C(Nc1ccccc1)c1ccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1.O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1.O=C(O)c1cccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)c1.c1ccc(-c2cnc3[nH]cc(-c4cccc5c4oc4ccccc45)c3c2)cc1.c1ccc(OCc2ccccc2-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1.c1ccc(Oc2ccc(-c3c[nH]c4ncc(-c5ccccc5)cc34)cc2)cc1
InChIInChI=1S/C32H23N3O2.C29H25N3O2.2C26H18N2O3.C26H20N2O.C25H16N2O.C25H18N2O/c36-32(35-25-9-3-1-4-10-25)23-17-15-22(16-18-23)29-21-34-31-28(29)19-24(20-33-31)27-13-7-8-14-30(27)37-26-11-5-2-6-12-26;1-2-16-30-29(33)21-14-12-20(13-15-21)26-19-32-28-25(26)17-22(18-31-28)24-10-6-7-11-27(24)34-23-8-4-3-5-9-23;29-26(30)18-8-6-7-17(13-18)23-16-28-25-22(23)14-19(15-27-25)21-11-4-5-12-24(21)31-20-9-2-1-3-10-20;29-26(30)18-12-10-17(11-13-18)23-16-28-25-22(23)14-19(15-27-25)21-8-4-5-9-24(21)31-20-6-2-1-3-7-20;1-3-9-19(10-4-1)21-15-24-25(17-28-26(24)27-16-21)23-14-8-7-11-20(23)18-29-22-12-5-2-6-13-22;1-2-7-16(8-3-1)17-13-21-22(15-27-25(21)26-14-17)20-11-6-10-19-18-9-4-5-12-23(18)28-24(19)20;1-3-7-18(8-4-1)20-15-23-24(17-27-25(23)26-16-20)19-11-13-22(14-12-19)28-21-9-5-2-6-10-21/h1-21H,(H,33,34)(H,35,36);3-15,17-19H,2,16H2,1H3,(H,30,33)(H,31,32);2*1-16H,(H,27,28)(H,29,30);1-17H,18H2,(H,27,28);1-15H,(H,26,27);1-17H,(H,26,27)
InChIKeyMYQBSYBCBQYKCJ-UHFFFAOYSA-N
XLogP47.51
TPSA402.08 Ų
H-Bond Donors11
H-Bond Acceptors18
Rotatable Bonds34
Heavy Atoms218
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002841.28
LogP ≤ 547.51
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1018

Analyze 3-dibenzofuran-4-yl-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-[2-(phenoxymethyl)phenyl]-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(4-phenoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylbenzamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide with MolForge

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Related Compounds

5-(4-chlorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3-fluoro-4-methylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(2-phenylphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(2-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 158413761
5-(2-butoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3-chlorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-chlorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3-fluoro-4-methylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3-fluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(2-phenylphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(2-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(2-propoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 158715491
5-[2-[4-(2,2-difluoropropanoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[5-fluoro-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-[(3R)-1-(2-hydroxyacetyl)pyrrolidin-3-yl]oxy-5-[2-[4-(2-hydroxypropan-2-yl)phenyl]-1H-indol-4-yl]benzonitrile
CID 160101178
5-[5-fluoro-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-[(3R)-1-(2-hydroxyacetyl)pyrrolidin-3-yl]oxy-5-[2-[4-(2-hydroxypropan-2-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]benzonitrile;2-(oxan-4-yloxy)-5-[2-[4-(2,2,2-trifluoroacetyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]benzonitrile
CID 160501095
5-[2-[4-(2,2-difluoropropanoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-[(3R)-1-(2-hydroxyacetyl)pyrrolidin-3-yl]oxy-5-[2-[4-(2-hydroxypropan-2-yl)phenyl]-1H-indol-4-yl]benzonitrile;2-(oxan-4-yloxy)-5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-4-yl]benzonitrile
CID 161059330
15,24,33-Tris[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene-6-carboxylic acid
CID 136866407
4-[8-amino-1-(1-benzofuran-2-yl)-5-methylimidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide;4-[8-amino-5-ethyl-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-oxo-1,6-dihydropyrrolo[2,3-c]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;N-[[4-[8-amino-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;N-[[4-[8-amino-1-(1H-pyrrolo[3,2-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide
CID 90701143
3-dibenzofuran-4-yl-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;ethyl 1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine-3-carboximidate;3-[2-(phenoxymethyl)phenyl]-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-phenoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-[5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridin-3-yl]benzoic acid;1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;hydrochloride
CID 157198599
3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-5-(2-pyrrolidin-1-ylethoxy)-1H-pyrrolo[2,3-b]pyridine;3-[[6-[2-(4-methylphenyl)propyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;tris(1-(4-methylphenyl)-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethanone)
CID 157223279
5-dibenzofuran-4-yl-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(2-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperazin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzaldehyde;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile;[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanol;4-[[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]morpholine;methyl 2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carbaldehyde;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylfuran-2-carboxamide
CID 157233000
(2R,4R)-1-[(2S)-2-[(4-tert-butylbenzoyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid;2-[[(2R)-4-(4-tert-butylphenyl)-2-[[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]methyl]-4-oxobutanoyl]amino]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid;(2R,3R)-1-[(2R)-4-(4-tert-butylphenyl)-2-[[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]methyl]-4-oxobutanoyl]-2-methylpiperidine-3-carboxylic acid
CID 157234191
5-[5-(7H-cyclopenta[b]pyridin-3-yl)-6-propan-2-yl-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;5-[5-(7H-cyclopenta[b]pyridin-3-yl)-6-propan-2-yl-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;6-[6-(3-hydroxy-3-methylbut-1-ynyl)-2-propan-2-yl-3-pyridinyl]-2,3-dihydroinden-1-one;6-[6-(2-methoxy-4-pyridinyl)-2-propan-2-yl-3-pyridinyl]-2,3-dihydroinden-1-one;6-[5-(3-oxo-1,2-dihydroinden-5-yl)-6-propan-2-yl-3-pyridinyl]-2,3-dihydroisoindol-1-one
CID 157253793

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-4-yl-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-[2-(phenoxymethyl)phenyl]-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(4-phenoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylbenzamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide?
The IUPAC name of 3-dibenzofuran-4-yl-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-[2-(phenoxymethyl)phenyl]-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(4-phenoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylbenzamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide (CID 159709376) is 3-dibenzofuran-4-yl-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-[2-(phenoxymethyl)phenyl]-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(4-phenoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylbenzamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide.
What is the SMILES notation for 3-dibenzofuran-4-yl-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-[2-(phenoxymethyl)phenyl]-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(4-phenoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylbenzamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide?
The canonical SMILES for 3-dibenzofuran-4-yl-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-[2-(phenoxymethyl)phenyl]-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(4-phenoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylbenzamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide is CCCNC(=O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1.O=C(Nc1ccccc1)c1ccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1.O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1.O=C(O)c1cccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)c1.c1ccc(-c2cnc3[nH]cc(-c4cccc5c4oc4ccccc45)c3c2)cc1.c1ccc(OCc2ccccc2-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1.c1ccc(Oc2ccc(-c3c[nH]c4ncc(-c5ccccc5)cc34)cc2)cc1.
What is the InChIKey of 3-dibenzofuran-4-yl-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-[2-(phenoxymethyl)phenyl]-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(4-phenoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylbenzamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide?
The InChIKey is MYQBSYBCBQYKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23N3O2.C29H25N3O2.2C26H18N2O3.C26H20N2O.C25H16N2O.C25H18N2O/c36-32(35-25-9-3-1-4-10-25)23-17-15-22(16-18-23)29-21-34-31-28(29)19-24(20-33-31)27-13-7-8-14-30(27)37-26-11-5-2-6-12-26;1-2-16-30-29(33)21-14-12-20(13-15-21)26-19-32-28-25(26)17-22(18-31-28)24-10-6-7-11-27(24)34-23-8-4-3-5-9-23;29-26(30)18-8-6-7-17(13-18)23-16-28-25-22(23)14-19(15-27-25)21-11-4-5-12-24(21)31-20-9-2-1-3-10-20;29-26(30)18-12-10-17(11-13-18)23-16-28-25-22(23)14-19(15-27-25)21-8-4-5-9-24(21)31-20-6-2-1-3-7-20;1-3-9-19(10-4-1)21-15-24-25(17-28-26(24)27-16-21)23-14-8-7-11-20(23)18-29-22-12-5-2-6-13-22;1-2-7-16(8-3-1)17-13-21-22(15-27-25(21)26-14-17)20-11-6-10-19-18-9-4-5-12-23(18)28-24(19)20;1-3-7-18(8-4-1)20-15-23-24(17-27-25(23)26-16-20)19-11-13-22(14-12-19)28-21-9-5-2-6-10-21/h1-21H,(H,33,34)(H,35,36);3-15,17-19H,2,16H2,1H3,(H,30,33)(H,31,32);2*1-16H,(H,27,28)(H,29,30);1-17H,18H2,(H,27,28);1-15H,(H,26,27);1-17H,(H,26,27).
What are the key properties of 3-dibenzofuran-4-yl-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-[2-(phenoxymethyl)phenyl]-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(4-phenoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylbenzamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide?
3-dibenzofuran-4-yl-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-[2-(phenoxymethyl)phenyl]-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(4-phenoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylbenzamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide has a molecular weight of 2841.28 g/mol, XLogP of 47.51, 34 rotatable bonds, 11 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-4-yl-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-[2-(phenoxymethyl)phenyl]-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(4-phenoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylbenzamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide is sourced from PubChem (CID 159709376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).