bis(4-(3-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline);3-cyclopenta-1,4-dien-1-yl-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(3-methylphenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine;3-thiophen-2-yl-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine

C134H106N14O2S3 — CID 161409591

IUPACbis(4-(3-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline);3-cyclopenta-1,4-dien-1-yl-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(3-methylphenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine;3-thiophen-2-yl-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESC1=CC(c2c[nH]c3ncc(-c4ccc(-c5cccs5)cc4)cc23)=CC1.CN(C)c1ccc(-c2cnc3[nH]cc(C4=CCC=C4)c3c2)cc1.CN(C)c1ccc(-c2cnc3[nH]cc(C4=CCC=C4)c3c2)cc1.Cc1cccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)c1.c1ccc(Oc2ccccc2-c2cnc3[nH]cc(-c4ccccc4)c3c2)cc1.c1csc(-c2ccc(-c3cnc4[nH]cc(-c5cccs5)c4c3)cc2)c1
InChIInChI=1S/C26H20N2O.C25H18N2O.C22H16N2S.C21H14N2S2.2C20H19N3/c1-18-8-7-9-19(14-18)24-17-28-26-23(24)15-20(16-27-26)22-12-5-6-13-25(22)29-21-10-3-2-4-11-21;1-3-9-18(10-4-1)23-17-27-25-22(23)15-19(16-26-25)21-13-7-8-14-24(21)28-20-11-5-2-6-12-20;1-2-5-16(4-1)20-14-24-22-19(20)12-18(13-23-22)15-7-9-17(10-8-15)21-6-3-11-25-21;1-3-19(24-9-1)15-7-5-14(6-8-15)16-11-17-18(20-4-2-10-25-20)13-23-21(17)22-12-16;2*1-23(2)17-9-7-14(8-10-17)16-11-18-19(15-5-3-4-6-15)13-22-20(18)21-12-16/h2-17H,1H3,(H,27,28);1-17H,(H,26,27);1,3-14H,2H2,(H,23,24);1-13H,(H,22,23);2*3,5-13H,4H2,1-2H3,(H,21,22)
InChIKeyVVHGRDIBSKPJPB-UHFFFAOYSA-N
MW2040.62 g/mol
LogP35.95
Rot. Bonds20

About bis(4-(3-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline);3-cyclopenta-1,4-dien-1-yl-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(3-methylphenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine;3-thiophen-2-yl-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine

bis(4-(3-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline);3-cyclopenta-1,4-dien-1-yl-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(3-methylphenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine;3-thiophen-2-yl-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 161409591) has the molecular formula C134H106N14O2S3 and a molecular weight of 2040.62 g/mol. Its IUPAC name is bis(4-(3-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline);3-cyclopenta-1,4-dien-1-yl-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(3-methylphenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine;3-thiophen-2-yl-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Namebis(4-(3-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline);3-cyclopenta-1,4-dien-1-yl-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(3-methylphenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine;3-thiophen-2-yl-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID161409591
Molecular FormulaC134H106N14O2S3
Molecular Weight2040.62 g/mol
Exact Mass2038.78
IUPAC Namebis(4-(3-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline);3-cyclopenta-1,4-dien-1-yl-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(3-methylphenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine;3-thiophen-2-yl-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESC1=CC(c2c[nH]c3ncc(-c4ccc(-c5cccs5)cc4)cc23)=CC1.CN(C)c1ccc(-c2cnc3[nH]cc(C4=CCC=C4)c3c2)cc1.CN(C)c1ccc(-c2cnc3[nH]cc(C4=CCC=C4)c3c2)cc1.Cc1cccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)c1.c1ccc(Oc2ccccc2-c2cnc3[nH]cc(-c4ccccc4)c3c2)cc1.c1csc(-c2ccc(-c3cnc4[nH]cc(-c5cccs5)c4c3)cc2)c1
InChIInChI=1S/C26H20N2O.C25H18N2O.C22H16N2S.C21H14N2S2.2C20H19N3/c1-18-8-7-9-19(14-18)24-17-28-26-23(24)15-20(16-27-26)22-12-5-6-13-25(22)29-21-10-3-2-4-11-21;1-3-9-18(10-4-1)23-17-27-25-22(23)15-19(16-26-25)21-13-7-8-14-24(21)28-20-11-5-2-6-12-20;1-2-5-16(4-1)20-14-24-22-19(20)12-18(13-23-22)15-7-9-17(10-8-15)21-6-3-11-25-21;1-3-19(24-9-1)15-7-5-14(6-8-15)16-11-17-18(20-4-2-10-25-20)13-23-21(17)22-12-16;2*1-23(2)17-9-7-14(8-10-17)16-11-18-19(15-5-3-4-6-15)13-22-20(18)21-12-16/h2-17H,1H3,(H,27,28);1-17H,(H,26,27);1,3-14H,2H2,(H,23,24);1-13H,(H,22,23);2*3,5-13H,4H2,1-2H3,(H,21,22)
InChIKeyVVHGRDIBSKPJPB-UHFFFAOYSA-N
XLogP35.95
TPSA197.02 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds20
Heavy Atoms153
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002040.62
LogP ≤ 535.95
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Analyze bis(4-(3-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline);3-cyclopenta-1,4-dien-1-yl-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(3-methylphenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine;3-thiophen-2-yl-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

4-[5-[3-[3-fluoro-4-[3-[3-fluoro-5-[3-(3-fluoro-2-methoxyphenyl)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]pyrrolo[2,3-b]pyridin-1-yl]-2-methoxyphenyl]-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]pyrrolo[2,3-b]pyridin-1-yl]-2-methoxyphenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazol-2-yl]morpholine
CID 134443585
3-[4-(azetidin-1-ylsulfonyl)phenyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-diethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;N,N-diethyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;N,N-dimethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-(3-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(4-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-thiophen-3-yl-3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 157451413
3-[4-(azetidin-1-ylsulfonyl)phenyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-diethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;N,N-diethyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;N,N-dimethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;N,N-dimethyl-4-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-(3-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(4-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-thiophen-3-yl-3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 159886413
Methane;4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-7-(trifluoromethyl)quinoline;7-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-methyl-4-pyridinyl)imidazo[1,2-a]pyridine;7-[4-(4-methylpiperazin-1-yl)phenyl]-3-thiophen-3-ylimidazo[1,2-a]pyridine;7-(4-phenoxyphenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridine;7-(4-propan-2-yloxyphenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridine
CID 161510294
methane;bis(3-[[2-methoxy-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);bis(3-[[2-methyl-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);6-[2-(4-methylphenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one;3-[[6-(2-phenylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[6-(2-thiophen-2-ylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 157386127
3-(3-chlorophenyl)-4-(5-chlorothiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-chlorophenyl)-4-(5-methylthiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-chlorophenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-3-yl)-3-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-2-yl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-2-yl)-3-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-ethoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxy-3-pyridinyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[3-[4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine
CID 157430778
12-(1-Benzothiophen-3-yl)-23-phenyl-10,23-diazahexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene;20-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10-phenyl-10,16-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;20-(4-methoxyphenyl)-10-phenyl-10,18-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;23-phenyl-12-pyridin-3-yl-4,23-diazahexacyclo[12.11.0.02,11.05,10.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene
CID 157441087
4-(5-benzyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-diethyl-5-methyl-1,3-thiazol-2-amine;[3-[2-(diethylamino)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-phenylmethanol;N,N-diethyl-5-methyl-4-(5-phenoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;N,N-diethyl-4-(5-phenoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;N,N-diethyl-4-(5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine
CID 157756411
tert-butyl 4-[4-[4-methoxy-3-(1,3-thiazol-5-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-(4-methoxy-3-thiophen-3-ylanilino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-(3-phenylanilino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[3-(1H-pyrrol-2-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-(3-thiophen-2-ylanilino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 157817274
bis(3-[[2-methoxy-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);bis(3-[[2-methyl-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);6-[2-(4-methylphenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one;3-[[6-(2-phenylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[6-(2-thiophen-2-ylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 157861303
2-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methanol;3-[5-(aminomethyl)thiophen-2-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-aminophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxythiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-1H-indol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-1H-indol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methylpyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 158048017
N,N-dimethyl-4-[3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-(3-fluorophenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;3-(furan-3-yl)-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine;5-[5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole
CID 158323225

Frequently Asked Questions

What is the IUPAC name of bis(4-(3-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline);3-cyclopenta-1,4-dien-1-yl-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(3-methylphenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine;3-thiophen-2-yl-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of bis(4-(3-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline);3-cyclopenta-1,4-dien-1-yl-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(3-methylphenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine;3-thiophen-2-yl-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine (CID 161409591) is bis(4-(3-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline);3-cyclopenta-1,4-dien-1-yl-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(3-methylphenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine;3-thiophen-2-yl-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for bis(4-(3-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline);3-cyclopenta-1,4-dien-1-yl-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(3-methylphenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine;3-thiophen-2-yl-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for bis(4-(3-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline);3-cyclopenta-1,4-dien-1-yl-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(3-methylphenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine;3-thiophen-2-yl-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine is C1=CC(c2c[nH]c3ncc(-c4ccc(-c5cccs5)cc4)cc23)=CC1.CN(C)c1ccc(-c2cnc3[nH]cc(C4=CCC=C4)c3c2)cc1.CN(C)c1ccc(-c2cnc3[nH]cc(C4=CCC=C4)c3c2)cc1.Cc1cccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)c1.c1ccc(Oc2ccccc2-c2cnc3[nH]cc(-c4ccccc4)c3c2)cc1.c1csc(-c2ccc(-c3cnc4[nH]cc(-c5cccs5)c4c3)cc2)c1.
What is the InChIKey of bis(4-(3-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline);3-cyclopenta-1,4-dien-1-yl-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(3-methylphenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine;3-thiophen-2-yl-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is VVHGRDIBSKPJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O.C25H18N2O.C22H16N2S.C21H14N2S2.2C20H19N3/c1-18-8-7-9-19(14-18)24-17-28-26-23(24)15-20(16-27-26)22-12-5-6-13-25(22)29-21-10-3-2-4-11-21;1-3-9-18(10-4-1)23-17-27-25-22(23)15-19(16-26-25)21-13-7-8-14-24(21)28-20-11-5-2-6-12-20;1-2-5-16(4-1)20-14-24-22-19(20)12-18(13-23-22)15-7-9-17(10-8-15)21-6-3-11-25-21;1-3-19(24-9-1)15-7-5-14(6-8-15)16-11-17-18(20-4-2-10-25-20)13-23-21(17)22-12-16;2*1-23(2)17-9-7-14(8-10-17)16-11-18-19(15-5-3-4-6-15)13-22-20(18)21-12-16/h2-17H,1H3,(H,27,28);1-17H,(H,26,27);1,3-14H,2H2,(H,23,24);1-13H,(H,22,23);2*3,5-13H,4H2,1-2H3,(H,21,22).
What are the key properties of bis(4-(3-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline);3-cyclopenta-1,4-dien-1-yl-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(3-methylphenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine;3-thiophen-2-yl-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine?
bis(4-(3-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline);3-cyclopenta-1,4-dien-1-yl-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(3-methylphenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine;3-thiophen-2-yl-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 2040.62 g/mol, XLogP of 35.95, 20 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-(3-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline);3-cyclopenta-1,4-dien-1-yl-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(3-methylphenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine;3-thiophen-2-yl-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 161409591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).