N-[6-[[1-[[1-[[1-[[1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]-4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzamide;bis(2-pyridin-2-ylpyridine);ruthenium

C76H100N30O7Ru — CID 58133346

IUPACN-[6-[[1-[[1-[[1-[[1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]-4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzamide;bis(2-pyridin-2-ylpyridine);ruthenium
SMILESNC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)CCCCCNC(=O)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C56H84N26O7.2C10H8N2.Ru/c57-45(84)35(13-6-26-71-52(58)59)77-49(87)37(15-8-28-73-54(62)63)79-51(89)39(17-10-30-75-56(66)67)80-50(88)38(16-9-29-74-55(64)65)78-48(86)36(14-7-27-72-53(60)61)76-40(83)18-2-1-3-23-70-47(85)32-21-19-31(20-22-32)46-81-43-33-11-4-24-68-41(33)42-34(44(43)82-46)12-5-25-69-42;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h4-5,11-12,19-22,24-25,35-39H,1-3,6-10,13-18,23,26-30H2,(H2,57,84)(H,70,85)(H,76,83)(H,77,87)(H,78,86)(H,79,89)(H,80,88)(H,81,82)(H4,58,59,71)(H4,60,61,72)(H4,62,63,73)(H4,64,65,74)(H4,66,67,75);2*1-8H;
InChIKeyIMSFDMDGGPUMPI-UHFFFAOYSA-N
MW1646.91 g/mol
LogP1.08
Rot. Bonds40

About N-[6-[[1-[[1-[[1-[[1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]-4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzamide;bis(2-pyridin-2-ylpyridine);ruthenium

N-[6-[[1-[[1-[[1-[[1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]-4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzamide;bis(2-pyridin-2-ylpyridine);ruthenium (PubChem CID 58133346) has the molecular formula C76H100N30O7Ru and a molecular weight of 1646.91 g/mol. Its IUPAC name is N-[6-[[1-[[1-[[1-[[1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]-4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzamide;bis(2-pyridin-2-ylpyridine);ruthenium.

Molecular Properties

Compound NameN-[6-[[1-[[1-[[1-[[1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]-4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzamide;bis(2-pyridin-2-ylpyridine);ruthenium
PubChem CID58133346
Molecular FormulaC76H100N30O7Ru
Molecular Weight1646.91 g/mol
Exact Mass1646.74
IUPAC NameN-[6-[[1-[[1-[[1-[[1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]-4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzamide;bis(2-pyridin-2-ylpyridine);ruthenium
SMILESNC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)CCCCCNC(=O)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C56H84N26O7.2C10H8N2.Ru/c57-45(84)35(13-6-26-71-52(58)59)77-49(87)37(15-8-28-73-54(62)63)79-51(89)39(17-10-30-75-56(66)67)80-50(88)38(16-9-29-74-55(64)65)78-48(86)36(14-7-27-72-53(60)61)76-40(83)18-2-1-3-23-70-47(85)32-21-19-31(20-22-32)46-81-43-33-11-4-24-68-41(33)42-34(44(43)82-46)12-5-25-69-42;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h4-5,11-12,19-22,24-25,35-39H,1-3,6-10,13-18,23,26-30H2,(H2,57,84)(H,70,85)(H,76,83)(H,77,87)(H,78,86)(H,79,89)(H,80,88)(H,81,82)(H4,58,59,71)(H4,60,61,72)(H4,62,63,73)(H4,64,65,74)(H4,66,67,75);2*1-8H;
InChIKeyIMSFDMDGGPUMPI-UHFFFAOYSA-N
XLogP1.08
TPSA645.71 Ų
H-Bond Donors18
H-Bond Acceptors19
Rotatable Bonds40
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001646.91
LogP ≤ 51.08
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-[6-[[1-[[1-[[1-[[1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]-4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzamide;bis(2-pyridin-2-ylpyridine);ruthenium with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[[1-[[1-[[1-[[1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]-4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzamide;bis(2-pyridin-2-ylpyridine);ruthenium?
The IUPAC name of N-[6-[[1-[[1-[[1-[[1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]-4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzamide;bis(2-pyridin-2-ylpyridine);ruthenium (CID 58133346) is N-[6-[[1-[[1-[[1-[[1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]-4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzamide;bis(2-pyridin-2-ylpyridine);ruthenium.
What is the SMILES notation for N-[6-[[1-[[1-[[1-[[1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]-4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzamide;bis(2-pyridin-2-ylpyridine);ruthenium?
The canonical SMILES for N-[6-[[1-[[1-[[1-[[1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]-4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzamide;bis(2-pyridin-2-ylpyridine);ruthenium is NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)CCCCCNC(=O)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of N-[6-[[1-[[1-[[1-[[1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]-4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzamide;bis(2-pyridin-2-ylpyridine);ruthenium?
The InChIKey is IMSFDMDGGPUMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H84N26O7.2C10H8N2.Ru/c57-45(84)35(13-6-26-71-52(58)59)77-49(87)37(15-8-28-73-54(62)63)79-51(89)39(17-10-30-75-56(66)67)80-50(88)38(16-9-29-74-55(64)65)78-48(86)36(14-7-27-72-53(60)61)76-40(83)18-2-1-3-23-70-47(85)32-21-19-31(20-22-32)46-81-43-33-11-4-24-68-41(33)42-34(44(43)82-46)12-5-25-69-42;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h4-5,11-12,19-22,24-25,35-39H,1-3,6-10,13-18,23,26-30H2,(H2,57,84)(H,70,85)(H,76,83)(H,77,87)(H,78,86)(H,79,89)(H,80,88)(H,81,82)(H4,58,59,71)(H4,60,61,72)(H4,62,63,73)(H4,64,65,74)(H4,66,67,75);2*1-8H;.
What are the key properties of N-[6-[[1-[[1-[[1-[[1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]-4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzamide;bis(2-pyridin-2-ylpyridine);ruthenium?
N-[6-[[1-[[1-[[1-[[1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]-4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzamide;bis(2-pyridin-2-ylpyridine);ruthenium has a molecular weight of 1646.91 g/mol, XLogP of 1.08, 40 rotatable bonds, 18 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[1-[[1-[[1-[[1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]-4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzamide;bis(2-pyridin-2-ylpyridine);ruthenium is sourced from PubChem (CID 58133346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).