9-(4-acridin-9-yl-1-phenylpyrrol-2-yl)acridine;1-(2-aminoethyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;1-(3-aminopropyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;1-[4-(2-aminopyrimidin-4-yl)-2-phenylcyclopenta-1,4-dien-1-yl]ethanone;carbon dioxide;ethyl 5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylate;1-methyl-2-phenyl-5-pyridin-3-ylpyrrole-3-carboxylic acid;1-[3-(4-methylphenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]isoquinoline;1-[4-pyridin-3-yl-2-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]ethanone

C170H149N29O13 — CID 161325464

IUPAC9-(4-acridin-9-yl-1-phenylpyrrol-2-yl)acridine;1-(2-aminoethyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;1-(3-aminopropyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;1-[4-(2-aminopyrimidin-4-yl)-2-phenylcyclopenta-1,4-dien-1-yl]ethanone;carbon dioxide;ethyl 5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylate;1-methyl-2-phenyl-5-pyridin-3-ylpyrrole-3-carboxylic acid;1-[3-(4-methylphenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]isoquinoline;1-[4-pyridin-3-yl-2-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]ethanone
SMILESCC(=O)C1=C(c2ccccc2)CC(c2ccnc(N)n2)=C1.CCOC(=O)c1cc(-c2ccnc(N)n2)n(CC)c1-c1ccccc1.COc1cc(-c2cc(-c3cccnc3)cn2C(C)=O)cc(OC)c1OC.Cc1ccc(-c2cc(-c3ccncc3)[nH]c2-c2nccc3ccccc23)cc1.Cn1c(-c2cccnc2)cc(C(=O)O)c1-c1ccccc1.NCCCn1c(-c2ccnc(N)n2)cc(C(N)=O)c1-c1ccccc1.NCCn1c(-c2ccnc(N)n2)cc(C(N)=O)c1-c1ccccc1.O=C=O.c1ccc(-n2cc(-c3c4ccccc4nc4ccccc34)cc2-c2c3ccccc3nc3ccccc23)cc1
InChIInChI=1S/C36H23N3.C25H19N3.C20H20N2O4.C19H20N4O2.C18H20N6O.C17H18N6O.C17H15N3O.C17H14N2O2.CO2/c1-2-12-25(13-3-1)39-23-24(35-26-14-4-8-18-30(26)37-31-19-9-5-15-27(31)35)22-34(39)36-28-16-6-10-20-32(28)38-33-21-11-7-17-29(33)36;1-17-6-8-19(9-7-17)22-16-23(20-10-13-26-14-11-20)28-25(22)24-21-5-3-2-4-18(21)12-15-27-24;1-13(23)22-12-16(14-6-5-7-21-11-14)8-17(22)15-9-18(24-2)20(26-4)19(10-15)25-3;1-3-23-16(15-10-11-21-19(20)22-15)12-14(18(24)25-4-2)17(23)13-8-6-5-7-9-13;19-8-4-10-24-15(14-7-9-22-18(21)23-14)11-13(17(20)25)16(24)12-5-2-1-3-6-12;18-7-9-23-14(13-6-8-21-17(20)22-13)10-12(16(19)24)15(23)11-4-2-1-3-5-11;1-11(21)14-9-13(16-7-8-19-17(18)20-16)10-15(14)12-5-3-2-4-6-12;1-19-15(13-8-5-9-18-11-13)10-14(17(20)21)16(19)12-6-3-2-4-7-12;2-1-3/h1-23H;2-16,28H,1H3;5-12H,1-4H3;5-12H,3-4H2,1-2H3,(H2,20,21,22);1-3,5-7,9,11H,4,8,10,19H2,(H2,20,25)(H2,21,22,23);1-6,8,10H,7,9,18H2,(H2,19,24)(H2,20,21,22);2-9H,10H2,1H3,(H2,18,19,20);2-11H,1H3,(H,20,21);
InChIKeyVKRZOQCKDYPORP-UHFFFAOYSA-N
MW2806.25 g/mol
LogP31.43
Rot. Bonds33

About 9-(4-acridin-9-yl-1-phenylpyrrol-2-yl)acridine;1-(2-aminoethyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;1-(3-aminopropyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;1-[4-(2-aminopyrimidin-4-yl)-2-phenylcyclopenta-1,4-dien-1-yl]ethanone;carbon dioxide;ethyl 5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylate;1-methyl-2-phenyl-5-pyridin-3-ylpyrrole-3-carboxylic acid;1-[3-(4-methylphenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]isoquinoline;1-[4-pyridin-3-yl-2-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]ethanone

9-(4-acridin-9-yl-1-phenylpyrrol-2-yl)acridine;1-(2-aminoethyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;1-(3-aminopropyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;1-[4-(2-aminopyrimidin-4-yl)-2-phenylcyclopenta-1,4-dien-1-yl]ethanone;carbon dioxide;ethyl 5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylate;1-methyl-2-phenyl-5-pyridin-3-ylpyrrole-3-carboxylic acid;1-[3-(4-methylphenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]isoquinoline;1-[4-pyridin-3-yl-2-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]ethanone (PubChem CID 161325464) has the molecular formula C170H149N29O13 and a molecular weight of 2806.25 g/mol. Its IUPAC name is 9-(4-acridin-9-yl-1-phenylpyrrol-2-yl)acridine;1-(2-aminoethyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;1-(3-aminopropyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;1-[4-(2-aminopyrimidin-4-yl)-2-phenylcyclopenta-1,4-dien-1-yl]ethanone;carbon dioxide;ethyl 5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylate;1-methyl-2-phenyl-5-pyridin-3-ylpyrrole-3-carboxylic acid;1-[3-(4-methylphenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]isoquinoline;1-[4-pyridin-3-yl-2-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]ethanone.

Molecular Properties

Compound Name9-(4-acridin-9-yl-1-phenylpyrrol-2-yl)acridine;1-(2-aminoethyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;1-(3-aminopropyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;1-[4-(2-aminopyrimidin-4-yl)-2-phenylcyclopenta-1,4-dien-1-yl]ethanone;carbon dioxide;ethyl 5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylate;1-methyl-2-phenyl-5-pyridin-3-ylpyrrole-3-carboxylic acid;1-[3-(4-methylphenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]isoquinoline;1-[4-pyridin-3-yl-2-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]ethanone
PubChem CID161325464
Molecular FormulaC170H149N29O13
Molecular Weight2806.25 g/mol
Exact Mass2804.19
IUPAC Name9-(4-acridin-9-yl-1-phenylpyrrol-2-yl)acridine;1-(2-aminoethyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;1-(3-aminopropyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;1-[4-(2-aminopyrimidin-4-yl)-2-phenylcyclopenta-1,4-dien-1-yl]ethanone;carbon dioxide;ethyl 5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylate;1-methyl-2-phenyl-5-pyridin-3-ylpyrrole-3-carboxylic acid;1-[3-(4-methylphenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]isoquinoline;1-[4-pyridin-3-yl-2-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]ethanone
SMILESCC(=O)C1=C(c2ccccc2)CC(c2ccnc(N)n2)=C1.CCOC(=O)c1cc(-c2ccnc(N)n2)n(CC)c1-c1ccccc1.COc1cc(-c2cc(-c3cccnc3)cn2C(C)=O)cc(OC)c1OC.Cc1ccc(-c2cc(-c3ccncc3)[nH]c2-c2nccc3ccccc23)cc1.Cn1c(-c2cccnc2)cc(C(=O)O)c1-c1ccccc1.NCCCn1c(-c2ccnc(N)n2)cc(C(N)=O)c1-c1ccccc1.NCCn1c(-c2ccnc(N)n2)cc(C(N)=O)c1-c1ccccc1.O=C=O.c1ccc(-n2cc(-c3c4ccccc4nc4ccccc34)cc2-c2c3ccccc3nc3ccccc23)cc1
InChIInChI=1S/C36H23N3.C25H19N3.C20H20N2O4.C19H20N4O2.C18H20N6O.C17H18N6O.C17H15N3O.C17H14N2O2.CO2/c1-2-12-25(13-3-1)39-23-24(35-26-14-4-8-18-30(26)37-31-19-9-5-15-27(31)35)22-34(39)36-28-16-6-10-20-32(28)38-33-21-11-7-17-29(33)36;1-17-6-8-19(9-7-17)22-16-23(20-10-13-26-14-11-20)28-25(22)24-21-5-3-2-4-18(21)12-15-27-24;1-13(23)22-12-16(14-6-5-7-21-11-14)8-17(22)15-9-18(24-2)20(26-4)19(10-15)25-3;1-3-23-16(15-10-11-21-19(20)22-15)12-14(18(24)25-4-2)17(23)13-8-6-5-7-9-13;19-8-4-10-24-15(14-7-9-22-18(21)23-14)11-13(17(20)25)16(24)12-5-2-1-3-6-12;18-7-9-23-14(13-6-8-21-17(20)22-13)10-12(16(19)24)15(23)11-4-2-1-3-5-11;1-11(21)14-9-13(16-7-8-19-17(18)20-16)10-15(14)12-5-3-2-4-6-12;1-19-15(13-8-5-9-18-11-13)10-14(17(20)21)16(19)12-6-3-2-4-7-12;2-1-3/h1-23H;2-16,28H,1H3;5-12H,1-4H3;5-12H,3-4H2,1-2H3,(H2,20,21,22);1-3,5-7,9,11H,4,8,10,19H2,(H2,20,25)(H2,21,22,23);1-6,8,10H,7,9,18H2,(H2,19,24)(H2,20,21,22);2-9H,10H2,1H3,(H2,18,19,20);2-11H,1H3,(H,20,21);
InChIKeyVKRZOQCKDYPORP-UHFFFAOYSA-N
XLogP31.43
TPSA627.70 Ų
H-Bond Donors10
H-Bond Acceptors38
Rotatable Bonds33
Heavy Atoms212
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002806.25
LogP ≤ 531.43
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9-(4-acridin-9-yl-1-phenylpyrrol-2-yl)acridine;1-(2-aminoethyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;1-(3-aminopropyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;1-[4-(2-aminopyrimidin-4-yl)-2-phenylcyclopenta-1,4-dien-1-yl]ethanone;carbon dioxide;ethyl 5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylate;1-methyl-2-phenyl-5-pyridin-3-ylpyrrole-3-carboxylic acid;1-[3-(4-methylphenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]isoquinoline;1-[4-pyridin-3-yl-2-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-cyclopentyl-6-propan-2-ylpurine;9-cyclopropyl-6-propan-2-ylpurine;7,8-dimethoxy-4-propan-2-ylquinazoline;6,9-di(propan-2-yl)purine;ethyl 4-morpholin-4-yl-6-propan-2-ylpyridine-3-carboxylate;5-fluoro-6-methyl-2-propan-2-ylpyridine-3-carbonitrile;7-fluoro-4-propan-2-ylquinazoline;N-(2-methoxyethyl)-6-propan-2-ylpyridine-3-carboxamide;4-methyl-2-piperidin-1-yl-6-propan-2-ylpyrimidine;morpholin-4-yl-(6-propan-2-yl-3-pyridinyl)methanone;4-(2-propan-2-ylpyridine-3-carbonyl)benzonitrile;(6-propan-2-yl-3-pyridinyl)-pyrrolidin-1-ylmethanone;2-[2-(2-propan-2-ylpyrimidin-4-yl)phenyl]ethanol;6,7,8-trimethoxy-4-propan-2-ylquinazoline
CID 157198342
5-(3,4-diethoxyphenyl)-3-isoquinolin-1-yl-1,2,4-oxadiazole;2-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methyl-methylamino]ethanol;2-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methylamino]-2-methylpropan-1-ol;methyl 5-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylate
CID 157286528
benzene;1-benzyl-3-methylindole;5-butoxy-3-methyl-1H-indole;1-butoxy-4-propylbenzene;1-butyl-3-methylindole;ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;1-ethyl-4-methylindole;4-ethylphenol;1-ethyl-2-phenoxybenzene;5-ethyl-1,2,3-trimethoxybenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;1-(2-methoxyethyl)-4-methylpiperidine;9-methylacridine;1-methylanthracene;9-methylanthracene;1-methyl-3,5-diphenylbenzene;4-methyl-2,6-diphenylpyridine;8-methylimidazo[1,2-a]pyridine;3-methyl-2H-indazole;3-methyl-1H-indole;4-methyl-1H-indole;8-methyl-3-(4-methylphenyl)imidazo[1,2-a]pyridine;9-methylphenanthrene;3-methylquinoline;3-methyl-1H-quinolin-4-one;1-phenylethanone;N-(1-phenylethyl)acetamide;N-(1-phenylpropan-2-yl)acetamide;1-phenylprop-1-enylbenzene;9-propylanthracene;1-propylnaphthalene;2-propylnaphthalene
CID 157562516
(2R,6S)-2,6-dimethylpiperidine;(2R)-2-(methoxymethyl)pyrrolidine;(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol;1-(1-methylpiperidin-4-yl)piperazine;2-methylpyrrolidine;methyl (2S)-pyrrolidine-2-carboxylate;N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine;(2S)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;(2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;2-(pentylamino)ethanol;1-[(E)-3-phenylprop-2-enyl]piperazine;1-(3-phenylpropyl)piperazine;4-piperazin-1-yl-1H-indole;4-(3-piperazin-1-ylpropyl)morpholine;2-piperazin-1-ylpyrimidine;piperidin-3-ol;1-(2-piperidin-1-ylethyl)piperazine;1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine
CID 157730120
2-[4-[[(2R,8R)-2-(1,3-benzodioxol-5-yl)-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;(E)-3-[4-[[4-[(2R,8R)-2-(1,3-benzodioxol-5-yl)-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl]piperidin-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 158165516
N-(4-iodo-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;[4-methyl-3-[(7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]methanol;methyl 3-[[2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetyl]amino]propanoate;1-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]butan-1-one
CID 158258807
CID 158419334
CID 158419334
(E)-3-[4-[(2R,8R)-2-(1,3-benzodioxol-5-yl)-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl]phenyl]-N-hydroxyprop-2-enamide;4-[4-[(2R,8R)-2-(1,3-benzodioxol-5-yl)-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl]piperidin-1-yl]-N-hydroxybutanamide;2-[4-[(2R,8R)-2-(1,3-benzodioxol-5-yl)-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide
CID 158665298
2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;chlororuthenium;bis(4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]pyrimidine);bis(2,6-dipyridin-2-ylpyridine);4-[(E)-2-(4-ethyl-2-methoxyphenyl)ethenyl]pyrimidine;bis(2-pyridin-2-ylpyridine);2-quinolin-2-ylquinoline;ruthenium
CID 158718664
9-(4-Acridin-9-yl-1-phenylpyrrol-2-yl)acridine;5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylic acid;carbon dioxide;ethyl 5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylate;1-methyl-2-phenyl-5-pyridin-3-ylpyrrole-3-carboxylic acid;1-[4-pyridin-3-yl-2-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]ethanone
CID 158769882
2-bromo-5H-pyrrolo[2,3-b]pyrazine;7-iodo-5-methyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazine;7-iodo-2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine;(1-methylcyclohexyl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol;(1-methylcyclohexyl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 159042884
7-(4-ethylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(1H-inden-4-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(1H-indol-5-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-2-amine;methyl 4-oxo-4-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]butanoate
CID 159288089

Frequently Asked Questions

What is the IUPAC name of 9-(4-acridin-9-yl-1-phenylpyrrol-2-yl)acridine;1-(2-aminoethyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;1-(3-aminopropyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;1-[4-(2-aminopyrimidin-4-yl)-2-phenylcyclopenta-1,4-dien-1-yl]ethanone;carbon dioxide;ethyl 5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylate;1-methyl-2-phenyl-5-pyridin-3-ylpyrrole-3-carboxylic acid;1-[3-(4-methylphenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]isoquinoline;1-[4-pyridin-3-yl-2-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]ethanone?
The IUPAC name of 9-(4-acridin-9-yl-1-phenylpyrrol-2-yl)acridine;1-(2-aminoethyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;1-(3-aminopropyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;1-[4-(2-aminopyrimidin-4-yl)-2-phenylcyclopenta-1,4-dien-1-yl]ethanone;carbon dioxide;ethyl 5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylate;1-methyl-2-phenyl-5-pyridin-3-ylpyrrole-3-carboxylic acid;1-[3-(4-methylphenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]isoquinoline;1-[4-pyridin-3-yl-2-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]ethanone (CID 161325464) is 9-(4-acridin-9-yl-1-phenylpyrrol-2-yl)acridine;1-(2-aminoethyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;1-(3-aminopropyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;1-[4-(2-aminopyrimidin-4-yl)-2-phenylcyclopenta-1,4-dien-1-yl]ethanone;carbon dioxide;ethyl 5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylate;1-methyl-2-phenyl-5-pyridin-3-ylpyrrole-3-carboxylic acid;1-[3-(4-methylphenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]isoquinoline;1-[4-pyridin-3-yl-2-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]ethanone.
What is the SMILES notation for 9-(4-acridin-9-yl-1-phenylpyrrol-2-yl)acridine;1-(2-aminoethyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;1-(3-aminopropyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;1-[4-(2-aminopyrimidin-4-yl)-2-phenylcyclopenta-1,4-dien-1-yl]ethanone;carbon dioxide;ethyl 5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylate;1-methyl-2-phenyl-5-pyridin-3-ylpyrrole-3-carboxylic acid;1-[3-(4-methylphenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]isoquinoline;1-[4-pyridin-3-yl-2-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]ethanone?
The canonical SMILES for 9-(4-acridin-9-yl-1-phenylpyrrol-2-yl)acridine;1-(2-aminoethyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;1-(3-aminopropyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;1-[4-(2-aminopyrimidin-4-yl)-2-phenylcyclopenta-1,4-dien-1-yl]ethanone;carbon dioxide;ethyl 5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylate;1-methyl-2-phenyl-5-pyridin-3-ylpyrrole-3-carboxylic acid;1-[3-(4-methylphenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]isoquinoline;1-[4-pyridin-3-yl-2-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]ethanone is CC(=O)C1=C(c2ccccc2)CC(c2ccnc(N)n2)=C1.CCOC(=O)c1cc(-c2ccnc(N)n2)n(CC)c1-c1ccccc1.COc1cc(-c2cc(-c3cccnc3)cn2C(C)=O)cc(OC)c1OC.Cc1ccc(-c2cc(-c3ccncc3)[nH]c2-c2nccc3ccccc23)cc1.Cn1c(-c2cccnc2)cc(C(=O)O)c1-c1ccccc1.NCCCn1c(-c2ccnc(N)n2)cc(C(N)=O)c1-c1ccccc1.NCCn1c(-c2ccnc(N)n2)cc(C(N)=O)c1-c1ccccc1.O=C=O.c1ccc(-n2cc(-c3c4ccccc4nc4ccccc34)cc2-c2c3ccccc3nc3ccccc23)cc1.
What is the InChIKey of 9-(4-acridin-9-yl-1-phenylpyrrol-2-yl)acridine;1-(2-aminoethyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;1-(3-aminopropyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;1-[4-(2-aminopyrimidin-4-yl)-2-phenylcyclopenta-1,4-dien-1-yl]ethanone;carbon dioxide;ethyl 5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylate;1-methyl-2-phenyl-5-pyridin-3-ylpyrrole-3-carboxylic acid;1-[3-(4-methylphenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]isoquinoline;1-[4-pyridin-3-yl-2-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]ethanone?
The InChIKey is VKRZOQCKDYPORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23N3.C25H19N3.C20H20N2O4.C19H20N4O2.C18H20N6O.C17H18N6O.C17H15N3O.C17H14N2O2.CO2/c1-2-12-25(13-3-1)39-23-24(35-26-14-4-8-18-30(26)37-31-19-9-5-15-27(31)35)22-34(39)36-28-16-6-10-20-32(28)38-33-21-11-7-17-29(33)36;1-17-6-8-19(9-7-17)22-16-23(20-10-13-26-14-11-20)28-25(22)24-21-5-3-2-4-18(21)12-15-27-24;1-13(23)22-12-16(14-6-5-7-21-11-14)8-17(22)15-9-18(24-2)20(26-4)19(10-15)25-3;1-3-23-16(15-10-11-21-19(20)22-15)12-14(18(24)25-4-2)17(23)13-8-6-5-7-9-13;19-8-4-10-24-15(14-7-9-22-18(21)23-14)11-13(17(20)25)16(24)12-5-2-1-3-6-12;18-7-9-23-14(13-6-8-21-17(20)22-13)10-12(16(19)24)15(23)11-4-2-1-3-5-11;1-11(21)14-9-13(16-7-8-19-17(18)20-16)10-15(14)12-5-3-2-4-6-12;1-19-15(13-8-5-9-18-11-13)10-14(17(20)21)16(19)12-6-3-2-4-7-12;2-1-3/h1-23H;2-16,28H,1H3;5-12H,1-4H3;5-12H,3-4H2,1-2H3,(H2,20,21,22);1-3,5-7,9,11H,4,8,10,19H2,(H2,20,25)(H2,21,22,23);1-6,8,10H,7,9,18H2,(H2,19,24)(H2,20,21,22);2-9H,10H2,1H3,(H2,18,19,20);2-11H,1H3,(H,20,21);.
What are the key properties of 9-(4-acridin-9-yl-1-phenylpyrrol-2-yl)acridine;1-(2-aminoethyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;1-(3-aminopropyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;1-[4-(2-aminopyrimidin-4-yl)-2-phenylcyclopenta-1,4-dien-1-yl]ethanone;carbon dioxide;ethyl 5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylate;1-methyl-2-phenyl-5-pyridin-3-ylpyrrole-3-carboxylic acid;1-[3-(4-methylphenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]isoquinoline;1-[4-pyridin-3-yl-2-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]ethanone?
9-(4-acridin-9-yl-1-phenylpyrrol-2-yl)acridine;1-(2-aminoethyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;1-(3-aminopropyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;1-[4-(2-aminopyrimidin-4-yl)-2-phenylcyclopenta-1,4-dien-1-yl]ethanone;carbon dioxide;ethyl 5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylate;1-methyl-2-phenyl-5-pyridin-3-ylpyrrole-3-carboxylic acid;1-[3-(4-methylphenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]isoquinoline;1-[4-pyridin-3-yl-2-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]ethanone has a molecular weight of 2806.25 g/mol, XLogP of 31.43, 33 rotatable bonds, 10 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-acridin-9-yl-1-phenylpyrrol-2-yl)acridine;1-(2-aminoethyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;1-(3-aminopropyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;1-[4-(2-aminopyrimidin-4-yl)-2-phenylcyclopenta-1,4-dien-1-yl]ethanone;carbon dioxide;ethyl 5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylate;1-methyl-2-phenyl-5-pyridin-3-ylpyrrole-3-carboxylic acid;1-[3-(4-methylphenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]isoquinoline;1-[4-pyridin-3-yl-2-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]ethanone is sourced from PubChem (CID 161325464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).