1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-3-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-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-ylsulfanylmethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;hexakis(1,10-phenanthroline);ruthenium

C162H131N41O9Ru3S — CID 157328882

IUPAC1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-3-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-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-ylsulfanylmethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;hexakis(1,10-phenanthroline);ruthenium
SMILESCn1cc(NC(=O)c2cc(NC(=O)c3nccn3C)cn2C)cc1C(=O)NCNc1cc2cccnc2c2ncccc12.Cn1cc(NC(=O)c2cc(NC(=O)c3nccn3C)cn2C)cc1C(=O)NCNc1cnc2c(ccc3cccnc32)c1.Cn1cc(NC(=O)c2cc(NC(=O)c3nccn3C)cn2C)cc1C(=O)NCSc1cc2cccnc2c2ncccc12.[Ru].[Ru].[Ru].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C30H28N10O3.C30H27N9O3S.6C12H8N2.3Ru/c1-38-11-10-33-27(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;1-38-10-9-32-27(38)30(43)37-22-13-24(40(3)16-22)29(42)36-21-12-23(39(2)15-21)28(41)35-17-34-20-11-19-7-6-18-5-4-8-31-25(18)26(19)33-14-20;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;6*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;/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);6*1-8H;;;
InChIKeyBFAYWKNZXIILAJ-UHFFFAOYSA-N
MW3131.38 g/mol
LogP27.86
Rot. Bonds24

About 1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-3-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-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-ylsulfanylmethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;hexakis(1,10-phenanthroline);ruthenium

1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-3-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-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-ylsulfanylmethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;hexakis(1,10-phenanthroline);ruthenium (PubChem CID 157328882) has the molecular formula C162H131N41O9Ru3S and a molecular weight of 3131.38 g/mol. Its IUPAC name is 1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-3-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-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-ylsulfanylmethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;hexakis(1,10-phenanthroline);ruthenium.

Molecular Properties

Compound Name1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-3-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-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-ylsulfanylmethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;hexakis(1,10-phenanthroline);ruthenium
PubChem CID157328882
Molecular FormulaC162H131N41O9Ru3S
Molecular Weight3131.38 g/mol
Exact Mass3131.79
IUPAC Name1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-3-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-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-ylsulfanylmethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;hexakis(1,10-phenanthroline);ruthenium
SMILESCn1cc(NC(=O)c2cc(NC(=O)c3nccn3C)cn2C)cc1C(=O)NCNc1cc2cccnc2c2ncccc12.Cn1cc(NC(=O)c2cc(NC(=O)c3nccn3C)cn2C)cc1C(=O)NCNc1cnc2c(ccc3cccnc32)c1.Cn1cc(NC(=O)c2cc(NC(=O)c3nccn3C)cn2C)cc1C(=O)NCSc1cc2cccnc2c2ncccc12.[Ru].[Ru].[Ru].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C30H28N10O3.C30H27N9O3S.6C12H8N2.3Ru/c1-38-11-10-33-27(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;1-38-10-9-32-27(38)30(43)37-22-13-24(40(3)16-22)29(42)36-21-12-23(39(2)15-21)28(41)35-17-34-20-11-19-7-6-18-5-4-8-31-25(18)26(19)33-14-20;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;6*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;/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);6*1-8H;;;
InChIKeyBFAYWKNZXIILAJ-UHFFFAOYSA-N
XLogP27.86
TPSA601.02 Ų
H-Bond Donors11
H-Bond Acceptors42
Rotatable Bonds24
Heavy Atoms216
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003131.38
LogP ≤ 527.86
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

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

Analyze 1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-3-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-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-ylsulfanylmethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;hexakis(1,10-phenanthroline);ruthenium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-3-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-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-ylsulfanylmethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;hexakis(1,10-phenanthroline);ruthenium?
The IUPAC name of 1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-3-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-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-ylsulfanylmethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;hexakis(1,10-phenanthroline);ruthenium (CID 157328882) is 1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-3-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-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-ylsulfanylmethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;hexakis(1,10-phenanthroline);ruthenium.
What is the SMILES notation for 1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-3-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-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-ylsulfanylmethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;hexakis(1,10-phenanthroline);ruthenium?
The canonical SMILES for 1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-3-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-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-ylsulfanylmethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;hexakis(1,10-phenanthroline);ruthenium is Cn1cc(NC(=O)c2cc(NC(=O)c3nccn3C)cn2C)cc1C(=O)NCNc1cc2cccnc2c2ncccc12.Cn1cc(NC(=O)c2cc(NC(=O)c3nccn3C)cn2C)cc1C(=O)NCNc1cnc2c(ccc3cccnc32)c1.Cn1cc(NC(=O)c2cc(NC(=O)c3nccn3C)cn2C)cc1C(=O)NCSc1cc2cccnc2c2ncccc12.[Ru].[Ru].[Ru].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of 1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-3-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-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-ylsulfanylmethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;hexakis(1,10-phenanthroline);ruthenium?
The InChIKey is BFAYWKNZXIILAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H28N10O3.C30H27N9O3S.6C12H8N2.3Ru/c1-38-11-10-33-27(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;1-38-10-9-32-27(38)30(43)37-22-13-24(40(3)16-22)29(42)36-21-12-23(39(2)15-21)28(41)35-17-34-20-11-19-7-6-18-5-4-8-31-25(18)26(19)33-14-20;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;6*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;/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);6*1-8H;;;.
What are the key properties of 1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-3-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-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-ylsulfanylmethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;hexakis(1,10-phenanthroline);ruthenium?
1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-3-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-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-ylsulfanylmethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;hexakis(1,10-phenanthroline);ruthenium has a molecular weight of 3131.38 g/mol, XLogP of 27.86, 24 rotatable bonds, 11 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-3-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-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-ylsulfanylmethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;hexakis(1,10-phenanthroline);ruthenium is sourced from PubChem (CID 157328882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).