bis(N-[5-[[5-(ethylcarbamoyl)-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide);4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(N-methyl-1,10-phenanthrolin-5-amine);2-pyridin-2-ylpyridine;quinoxalino[2,3-f][1,10]phenanthroline;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline

C122H112N32O6Ru2 — CID 158463567

IUPACbis(N-[5-[[5-(ethylcarbamoyl)-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide);4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(N-methyl-1,10-phenanthrolin-5-amine);2-pyridin-2-ylpyridine;quinoxalino[2,3-f][1,10]phenanthroline;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline
SMILESCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3nccn3C)cn2C)cn1C.CCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3nccn3C)cn2C)cn1C.CNc1cc2cccnc2c2ncccc12.CNc1cc2cccnc2c2ncccc12.Cc1ccnc(-c2cc(C)ccn2)c1.[Ru].[Ru].c1ccc(-c2ccccn2)nc1.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1cnc2c(c1)c1nc3c(nc1c1cccnc12)CCCC3
InChIInChI=1S/2C19H23N7O3.C18H14N4.C18H10N4.2C13H11N3.C12H12N2.C10H8N2.2Ru/c2*1-5-20-17(27)14-8-12(10-25(14)3)22-18(28)15-9-13(11-26(15)4)23-19(29)16-21-6-7-24(16)2;2*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*1-14-11-8-9-4-2-6-15-12(9)13-10(11)5-3-7-16-13;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h2*6-11H,5H2,1-4H3,(H,20,27)(H,22,28)(H,23,29);3-6,9-10H,1-2,7-8H2;1-10H;2*2-8,14H,1H3;3-8H,1-2H3;1-8H;;
InChIKeyHFMAPLAOUUJJKP-UHFFFAOYSA-N
MW2324.60 g/mol
LogP20.74
Rot. Bonds16

About bis(N-[5-[[5-(ethylcarbamoyl)-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide);4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(N-methyl-1,10-phenanthrolin-5-amine);2-pyridin-2-ylpyridine;quinoxalino[2,3-f][1,10]phenanthroline;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline

bis(N-[5-[[5-(ethylcarbamoyl)-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide);4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(N-methyl-1,10-phenanthrolin-5-amine);2-pyridin-2-ylpyridine;quinoxalino[2,3-f][1,10]phenanthroline;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline (PubChem CID 158463567) has the molecular formula C122H112N32O6Ru2 and a molecular weight of 2324.60 g/mol. Its IUPAC name is bis(N-[5-[[5-(ethylcarbamoyl)-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide);4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(N-methyl-1,10-phenanthrolin-5-amine);2-pyridin-2-ylpyridine;quinoxalino[2,3-f][1,10]phenanthroline;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline.

Molecular Properties

Compound Namebis(N-[5-[[5-(ethylcarbamoyl)-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide);4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(N-methyl-1,10-phenanthrolin-5-amine);2-pyridin-2-ylpyridine;quinoxalino[2,3-f][1,10]phenanthroline;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline
PubChem CID158463567
Molecular FormulaC122H112N32O6Ru2
Molecular Weight2324.60 g/mol
Exact Mass2324.75
IUPAC Namebis(N-[5-[[5-(ethylcarbamoyl)-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide);4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(N-methyl-1,10-phenanthrolin-5-amine);2-pyridin-2-ylpyridine;quinoxalino[2,3-f][1,10]phenanthroline;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline
SMILESCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3nccn3C)cn2C)cn1C.CCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3nccn3C)cn2C)cn1C.CNc1cc2cccnc2c2ncccc12.CNc1cc2cccnc2c2ncccc12.Cc1ccnc(-c2cc(C)ccn2)c1.[Ru].[Ru].c1ccc(-c2ccccn2)nc1.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1cnc2c(c1)c1nc3c(nc1c1cccnc12)CCCC3
InChIInChI=1S/2C19H23N7O3.C18H14N4.C18H10N4.2C13H11N3.C12H12N2.C10H8N2.2Ru/c2*1-5-20-17(27)14-8-12(10-25(14)3)22-18(28)15-9-13(11-26(15)4)23-19(29)16-21-6-7-24(16)2;2*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*1-14-11-8-9-4-2-6-15-12(9)13-10(11)5-3-7-16-13;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h2*6-11H,5H2,1-4H3,(H,20,27)(H,22,28)(H,23,29);3-6,9-10H,1-2,7-8H2;1-10H;2*2-8,14H,1H3;3-8H,1-2H3;1-8H;;
InChIKeyHFMAPLAOUUJJKP-UHFFFAOYSA-N
XLogP20.74
TPSA460.26 Ų
H-Bond Donors8
H-Bond Acceptors32
Rotatable Bonds16
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002324.60
LogP ≤ 520.74
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze bis(N-[5-[[5-(ethylcarbamoyl)-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide);4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(N-methyl-1,10-phenanthrolin-5-amine);2-pyridin-2-ylpyridine;quinoxalino[2,3-f][1,10]phenanthroline;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(N-[5-[[5-(ethylcarbamoyl)-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide);4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(N-methyl-1,10-phenanthrolin-5-amine);2-pyridin-2-ylpyridine;quinoxalino[2,3-f][1,10]phenanthroline;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline?
The IUPAC name of bis(N-[5-[[5-(ethylcarbamoyl)-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide);4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(N-methyl-1,10-phenanthrolin-5-amine);2-pyridin-2-ylpyridine;quinoxalino[2,3-f][1,10]phenanthroline;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline (CID 158463567) is bis(N-[5-[[5-(ethylcarbamoyl)-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide);4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(N-methyl-1,10-phenanthrolin-5-amine);2-pyridin-2-ylpyridine;quinoxalino[2,3-f][1,10]phenanthroline;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline.
What is the SMILES notation for bis(N-[5-[[5-(ethylcarbamoyl)-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide);4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(N-methyl-1,10-phenanthrolin-5-amine);2-pyridin-2-ylpyridine;quinoxalino[2,3-f][1,10]phenanthroline;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline?
The canonical SMILES for bis(N-[5-[[5-(ethylcarbamoyl)-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide);4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(N-methyl-1,10-phenanthrolin-5-amine);2-pyridin-2-ylpyridine;quinoxalino[2,3-f][1,10]phenanthroline;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline is CCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3nccn3C)cn2C)cn1C.CCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3nccn3C)cn2C)cn1C.CNc1cc2cccnc2c2ncccc12.CNc1cc2cccnc2c2ncccc12.Cc1ccnc(-c2cc(C)ccn2)c1.[Ru].[Ru].c1ccc(-c2ccccn2)nc1.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1cnc2c(c1)c1nc3c(nc1c1cccnc12)CCCC3.
What is the InChIKey of bis(N-[5-[[5-(ethylcarbamoyl)-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide);4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(N-methyl-1,10-phenanthrolin-5-amine);2-pyridin-2-ylpyridine;quinoxalino[2,3-f][1,10]phenanthroline;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline?
The InChIKey is HFMAPLAOUUJJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H23N7O3.C18H14N4.C18H10N4.2C13H11N3.C12H12N2.C10H8N2.2Ru/c2*1-5-20-17(27)14-8-12(10-25(14)3)22-18(28)15-9-13(11-26(15)4)23-19(29)16-21-6-7-24(16)2;2*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*1-14-11-8-9-4-2-6-15-12(9)13-10(11)5-3-7-16-13;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h2*6-11H,5H2,1-4H3,(H,20,27)(H,22,28)(H,23,29);3-6,9-10H,1-2,7-8H2;1-10H;2*2-8,14H,1H3;3-8H,1-2H3;1-8H;;.
What are the key properties of bis(N-[5-[[5-(ethylcarbamoyl)-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide);4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(N-methyl-1,10-phenanthrolin-5-amine);2-pyridin-2-ylpyridine;quinoxalino[2,3-f][1,10]phenanthroline;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline?
bis(N-[5-[[5-(ethylcarbamoyl)-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide);4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(N-methyl-1,10-phenanthrolin-5-amine);2-pyridin-2-ylpyridine;quinoxalino[2,3-f][1,10]phenanthroline;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline has a molecular weight of 2324.60 g/mol, XLogP of 20.74, 16 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-[5-[[5-(ethylcarbamoyl)-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide);4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(N-methyl-1,10-phenanthrolin-5-amine);2-pyridin-2-ylpyridine;quinoxalino[2,3-f][1,10]phenanthroline;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline is sourced from PubChem (CID 158463567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).