10,11,12,13,13a,14-hexahydroquinoxalino[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;tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline

C180H159N47O10Ru3 — CID 161190335

About 10,11,12,13,13a,14-hexahydroquinoxalino[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;tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline

10,11,12,13,13a,14-hexahydroquinoxalino[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;tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline (PubChem CID 161190335) has the molecular formula C180H159N47O10Ru3 and a molecular weight of 3443.78 g/mol. Its IUPAC name is 10,11,12,13,13a,14-hexahydroquinoxalino[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;tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline.

Molecular Properties

• Compound Name: 10,11,12,13,13a,14-hexahydroquinoxalino[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;tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline
• PubChem CID: 161190335
• Molecular Formula: C180H159N47O10Ru3
• Molecular Weight: 3443.78 g/mol
• Exact Mass: 3444.05
• IUPAC Name: 10,11,12,13,13a,14-hexahydroquinoxalino[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;tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline
• SMILES: Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)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)c1c(c3cccnc32)NC2CCCCC2=N1.c1cnc2c(c1)c1nc3c(nc1c1cccnc12)CCCC3
• InChI: InChI=1S/2C30H28N10O3.C30H27N9O4.C18H16N4.C18H14N4.C18H10N4.3C12H12N2.3Ru/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;3*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;;;/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);3-6,9-10,13,21H,1-2,7-8H2;3-6,9-10H,1-2,7-8H2;1-10H;3*3-8H,1-2H3
• InChIKey: UTQCAVACXTWCIE-UHFFFAOYSA-N
• XLogP: 30.44
• TPSA: 686.20 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 48
• Rotatable Bonds: 27
• Heavy Atoms: 240
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3443.78
LogP ≤ 5	30.44
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	48

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'}

Frequently Asked Questions

What is the IUPAC name of 10,11,12,13,13a,14-hexahydroquinoxalino[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;tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline?

The IUPAC name of 10,11,12,13,13a,14-hexahydroquinoxalino[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;tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline (CID 161190335) is 10,11,12,13,13a,14-hexahydroquinoxalino[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;tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);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 10,11,12,13,13a,14-hexahydroquinoxalino[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;tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline?

The canonical SMILES for 10,11,12,13,13a,14-hexahydroquinoxalino[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;tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline is Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)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)c1c(c3cccnc32)NC2CCCCC2=N1.c1cnc2c(c1)c1nc3c(nc1c1cccnc12)CCCC3.

What is the InChIKey of 10,11,12,13,13a,14-hexahydroquinoxalino[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;tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline?

The InChIKey is UTQCAVACXTWCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H28N10O3.C30H27N9O4.C18H16N4.C18H14N4.C18H10N4.3C12H12N2.3Ru/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;3*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;;;/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);3-6,9-10,13,21H,1-2,7-8H2;3-6,9-10H,1-2,7-8H2;1-10H;3*3-8H,1-2H3;;;.

What are the key properties of 10,11,12,13,13a,14-hexahydroquinoxalino[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;tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline?

10,11,12,13,13a,14-hexahydroquinoxalino[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;tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline has a molecular weight of 3443.78 g/mol, XLogP of 30.44, 27 rotatable bonds, 12 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 10,11,12,13,13a,14-hexahydroquinoxalino[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;tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline is sourced from PubChem (CID 161190335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).