bis(1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-5-ylamino)methylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide);1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);4-methyl-2-pyridin-2-ylpyridine;quinoxalino[2,3-f][1,10]phenanthroline;ruthenium;bis(10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline)

C179H155N47O10Ru3 — CID 158942316

IUPACbis(1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-5-ylamino)methylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide);1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);4-methyl-2-pyridin-2-ylpyridine;quinoxalino[2,3-f][1,10]phenanthroline;ruthenium;bis(10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline)
SMILESCc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2ccccn2)c1.Cn1cc(NC(=O)c2cc(NC(=O)c3nccn3C)cn2C)cc1C(=O)NCNc1cc2cccnc2c2ncccc12.Cn1cc(NC(=O)c2cc(NC(=O)c3nccn3C)cn2C)cc1C(=O)NCNc1cc2cccnc2c2ncccc12.Cn1cc(NC(=O)c2cc(NC(=O)c3nccn3C)cn2C)cc1C(=O)NCOc1cc2cccnc2c2ncccc12.[Ru].[Ru].[Ru].c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1cnc2c(c1)c1nc3c(nc1c1cccnc12)CCCC3.c1cnc2c(c1)c1nc3c(nc1c1cccnc12)CCCC3
InChIInChI=1S/2C30H28N10O3.C30H27N9O4.2C18H14N4.C18H10N4.2C12H12N2.C11H10N2.3Ru/c2*1-38-11-10-33-27(38)30(43)37-20-14-24(40(3)16-20)29(42)36-19-13-23(39(2)15-19)28(41)35-17-34-22-12-18-6-4-8-31-25(18)26-21(22)7-5-9-32-26;1-37-11-10-33-27(37)30(42)36-20-14-23(39(3)16-20)29(41)35-19-13-22(38(2)15-19)28(40)34-17-43-24-12-18-6-4-8-31-25(18)26-21(24)7-5-9-32-26;3*1-2-8-14-13(7-1)21-17-11-5-3-9-19-15(11)16-12(18(17)22-14)6-4-10-20-16;2*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;1-9-5-7-13-11(8-9)10-4-2-3-6-12-10;;;/h2*4-16,34H,17H2,1-3H3,(H,35,41)(H,36,42)(H,37,43);4-16H,17H2,1-3H3,(H,34,40)(H,35,41)(H,36,42);2*3-6,9-10H,1-2,7-8H2;1-10H;2*3-8H,1-2H3;2-8H,1H3;;;
InChIKeyJKKCOQMKQKIGCS-UHFFFAOYSA-N
MW3427.74 g/mol
LogP29.51
Rot. Bonds27

About bis(1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-5-ylamino)methylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide);1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);4-methyl-2-pyridin-2-ylpyridine;quinoxalino[2,3-f][1,10]phenanthroline;ruthenium;bis(10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline)

bis(1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-5-ylamino)methylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide);1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);4-methyl-2-pyridin-2-ylpyridine;quinoxalino[2,3-f][1,10]phenanthroline;ruthenium;bis(10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline) (PubChem CID 158942316) has the molecular formula C179H155N47O10Ru3 and a molecular weight of 3427.74 g/mol. Its IUPAC name is bis(1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-5-ylamino)methylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide);1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);4-methyl-2-pyridin-2-ylpyridine;quinoxalino[2,3-f][1,10]phenanthroline;ruthenium;bis(10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline).

Molecular Properties

Compound Namebis(1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-5-ylamino)methylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide);1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);4-methyl-2-pyridin-2-ylpyridine;quinoxalino[2,3-f][1,10]phenanthroline;ruthenium;bis(10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline)
PubChem CID158942316
Molecular FormulaC179H155N47O10Ru3
Molecular Weight3427.74 g/mol
Exact Mass3428.02
IUPAC Namebis(1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-5-ylamino)methylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide);1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);4-methyl-2-pyridin-2-ylpyridine;quinoxalino[2,3-f][1,10]phenanthroline;ruthenium;bis(10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline)
SMILESCc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2ccccn2)c1.Cn1cc(NC(=O)c2cc(NC(=O)c3nccn3C)cn2C)cc1C(=O)NCNc1cc2cccnc2c2ncccc12.Cn1cc(NC(=O)c2cc(NC(=O)c3nccn3C)cn2C)cc1C(=O)NCNc1cc2cccnc2c2ncccc12.Cn1cc(NC(=O)c2cc(NC(=O)c3nccn3C)cn2C)cc1C(=O)NCOc1cc2cccnc2c2ncccc12.[Ru].[Ru].[Ru].c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1cnc2c(c1)c1nc3c(nc1c1cccnc12)CCCC3.c1cnc2c(c1)c1nc3c(nc1c1cccnc12)CCCC3
InChIInChI=1S/2C30H28N10O3.C30H27N9O4.2C18H14N4.C18H10N4.2C12H12N2.C11H10N2.3Ru/c2*1-38-11-10-33-27(38)30(43)37-20-14-24(40(3)16-20)29(42)36-19-13-23(39(2)15-19)28(41)35-17-34-22-12-18-6-4-8-31-25(18)26-21(22)7-5-9-32-26;1-37-11-10-33-27(37)30(42)36-20-14-23(39(3)16-20)29(41)35-19-13-22(38(2)15-19)28(40)34-17-43-24-12-18-6-4-8-31-25(18)26-21(24)7-5-9-32-26;3*1-2-8-14-13(7-1)21-17-11-5-3-9-19-15(11)16-12(18(17)22-14)6-4-10-20-16;2*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;1-9-5-7-13-11(8-9)10-4-2-3-6-12-10;;;/h2*4-16,34H,17H2,1-3H3,(H,35,41)(H,36,42)(H,37,43);4-16H,17H2,1-3H3,(H,34,40)(H,35,41)(H,36,42);2*3-6,9-10H,1-2,7-8H2;1-10H;2*3-8H,1-2H3;2-8H,1H3;;;
InChIKeyJKKCOQMKQKIGCS-UHFFFAOYSA-N
XLogP29.51
TPSA687.59 Ų
H-Bond Donors11
H-Bond Acceptors48
Rotatable Bonds27
Heavy Atoms239
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003427.74
LogP ≤ 529.51
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze bis(1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-5-ylamino)methylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide);1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);4-methyl-2-pyridin-2-ylpyridine;quinoxalino[2,3-f][1,10]phenanthroline;ruthenium;bis(10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline) with MolForge

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Related Compounds

(4R)-4-[(1R)-1-[7-(3-methylbenzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(3-methylbenzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-(3-methylimidazo[4,5-b]pyridin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-[4-[1-(4-methylpiperazin-1-yl)ethenyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 157750123
N-[5-[[4-(8,8-difluoro-7,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-oxo-1,2-dihydropyrrolo[1,2-a]indol-4-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
CID 159445068
2-[[7-[6-(2,2-difluoropropoxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(2,4-dimethylquinazolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 159583714
(4R)-4-[(1R)-1-[7-[6-(difluoromethoxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(1,2-dimethylbenzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(1,2-dimethylbenzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[3-methoxy-4-(trifluoromethyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
CID 159911479
benzyl N-[(2S,4R)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-1-[2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetyl]piperidin-4-yl]carbamate;benzyl N-[(2S,4S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-1-[2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetyl]piperidin-4-yl]carbamate;benzyl N-[(2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidin-4-yl]carbamate;1-[(2S,4R)-4-(dimethylamino)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;1-[(2S,4S)-4-(dimethylamino)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone
CID 160160495
tert-butyl 3-[5-[cyclohexanecarbonyl(methyl)amino]-2-(pyridine-2-carbonylamino)benzimidazol-1-yl]propanoate;bis(tert-butyl 3-[5-[cyclohexanecarbonyl(methyl)amino]-2-(quinoline-3-carbonylamino)benzimidazol-1-yl]propanoate);tert-butyl 3-[5-[cyclohexanecarbonyl(methyl)amino]-2-[[2-(trifluoromethoxy)benzoyl]amino]benzimidazol-1-yl]propanoate;tert-butyl 3-[5-[cyclohexanecarbonyl(methyl)amino]-2-[[3-(trifluoromethoxy)benzoyl]amino]benzimidazol-1-yl]propanoate;tert-butyl 3-[5-[cyclohexanecarbonyl(methyl)amino]-2-[[4-(trifluoromethoxy)benzoyl]amino]benzimidazol-1-yl]propanoate;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]-3-(trifluoromethoxy)benzamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]-4-(trifluoromethoxy)benzamide
CID 161584818
(4R)-4-[(1R)-1-[7-(6-cyclobutyloxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;3-methyl-7-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]quinazolin-4-one;2-[[7-(3-methyl-4-oxoquinazolin-7-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 161686074
2,6-difluoro-N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-[[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]amino]-3-methyl-4-oxobutyl]pyrazine-2-carboxamide;N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide;N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide;N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]propanamide
CID 173170752
N-[3-amino-1-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-oxopropyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-[[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]amino]-3-methyl-4-oxobutyl]pyrazine-2-carboxamide;2,6-difluoro-N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide;N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide;N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide
CID 173422565
1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline
CID 59008866
10,11,12,13,13a,14-hexahydroquinoxalino[2,3-f][1,10]phenanthroline;1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium
CID 59008874
1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carboxamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium
CID 59008897

Frequently Asked Questions

What is the IUPAC name of bis(1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-5-ylamino)methylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide);1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);4-methyl-2-pyridin-2-ylpyridine;quinoxalino[2,3-f][1,10]phenanthroline;ruthenium;bis(10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline)?
The IUPAC name of bis(1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-5-ylamino)methylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide);1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);4-methyl-2-pyridin-2-ylpyridine;quinoxalino[2,3-f][1,10]phenanthroline;ruthenium;bis(10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline) (CID 158942316) is bis(1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-5-ylamino)methylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide);1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);4-methyl-2-pyridin-2-ylpyridine;quinoxalino[2,3-f][1,10]phenanthroline;ruthenium;bis(10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline).
What is the SMILES notation for bis(1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-5-ylamino)methylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide);1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);4-methyl-2-pyridin-2-ylpyridine;quinoxalino[2,3-f][1,10]phenanthroline;ruthenium;bis(10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline)?
The canonical SMILES for bis(1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-5-ylamino)methylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide);1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);4-methyl-2-pyridin-2-ylpyridine;quinoxalino[2,3-f][1,10]phenanthroline;ruthenium;bis(10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline) is Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2ccccn2)c1.Cn1cc(NC(=O)c2cc(NC(=O)c3nccn3C)cn2C)cc1C(=O)NCNc1cc2cccnc2c2ncccc12.Cn1cc(NC(=O)c2cc(NC(=O)c3nccn3C)cn2C)cc1C(=O)NCNc1cc2cccnc2c2ncccc12.Cn1cc(NC(=O)c2cc(NC(=O)c3nccn3C)cn2C)cc1C(=O)NCOc1cc2cccnc2c2ncccc12.[Ru].[Ru].[Ru].c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1cnc2c(c1)c1nc3c(nc1c1cccnc12)CCCC3.c1cnc2c(c1)c1nc3c(nc1c1cccnc12)CCCC3.
What is the InChIKey of bis(1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-5-ylamino)methylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide);1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);4-methyl-2-pyridin-2-ylpyridine;quinoxalino[2,3-f][1,10]phenanthroline;ruthenium;bis(10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline)?
The InChIKey is JKKCOQMKQKIGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H28N10O3.C30H27N9O4.2C18H14N4.C18H10N4.2C12H12N2.C11H10N2.3Ru/c2*1-38-11-10-33-27(38)30(43)37-20-14-24(40(3)16-20)29(42)36-19-13-23(39(2)15-19)28(41)35-17-34-22-12-18-6-4-8-31-25(18)26-21(22)7-5-9-32-26;1-37-11-10-33-27(37)30(42)36-20-14-23(39(3)16-20)29(41)35-19-13-22(38(2)15-19)28(40)34-17-43-24-12-18-6-4-8-31-25(18)26-21(24)7-5-9-32-26;3*1-2-8-14-13(7-1)21-17-11-5-3-9-19-15(11)16-12(18(17)22-14)6-4-10-20-16;2*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;1-9-5-7-13-11(8-9)10-4-2-3-6-12-10;;;/h2*4-16,34H,17H2,1-3H3,(H,35,41)(H,36,42)(H,37,43);4-16H,17H2,1-3H3,(H,34,40)(H,35,41)(H,36,42);2*3-6,9-10H,1-2,7-8H2;1-10H;2*3-8H,1-2H3;2-8H,1H3;;;.
What are the key properties of bis(1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-5-ylamino)methylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide);1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);4-methyl-2-pyridin-2-ylpyridine;quinoxalino[2,3-f][1,10]phenanthroline;ruthenium;bis(10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline)?
bis(1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-5-ylamino)methylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide);1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);4-methyl-2-pyridin-2-ylpyridine;quinoxalino[2,3-f][1,10]phenanthroline;ruthenium;bis(10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline) has a molecular weight of 3427.74 g/mol, XLogP of 29.51, 27 rotatable bonds, 11 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-5-ylamino)methylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide);1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);4-methyl-2-pyridin-2-ylpyridine;quinoxalino[2,3-f][1,10]phenanthroline;ruthenium;bis(10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline) is sourced from PubChem (CID 158942316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).