2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]-N-[2-[[2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carbonyl]amino]ethyl]pyridine-4-carboxamide;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+))

C90H66N20O4Ru2+4 — CID 139250785

IUPAC2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]-N-[2-[[2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carbonyl]amino]ethyl]pyridine-4-carboxamide;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+))
SMILESO=C(NCCNC(=O)c1ccnc(-c2cc(C(=O)Nc3cc4cccnc4c4ncccc34)ccn2)c1)c1ccnc(-c2cc(C(=O)Nc3cc4cccnc4c4ncccc34)ccn2)c1.[Ru+2].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C50H34N12O4.4C10H8N2.2Ru/c63-47(31-9-17-51-39(25-31)41-27-33(11-19-53-41)49(65)61-37-23-29-5-1-13-55-43(29)45-35(37)7-3-15-57-45)59-21-22-60-48(64)32-10-18-52-40(26-32)42-28-34(12-20-54-42)50(66)62-38-24-30-6-2-14-56-44(30)46-36(38)8-4-16-58-46;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h1-20,23-28H,21-22H2,(H,59,63)(H,60,64)(H,61,65)(H,62,66);4*1-8H;;/q;;;;;2*+2
InChIKeySSQXMTGDIOYLSU-UHFFFAOYSA-N
MW1693.79 g/mol
LogP16.03
Rot. Bonds15

About 2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]-N-[2-[[2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carbonyl]amino]ethyl]pyridine-4-carboxamide;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+))

2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]-N-[2-[[2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carbonyl]amino]ethyl]pyridine-4-carboxamide;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+)) (PubChem CID 139250785) has the molecular formula C90H66N20O4Ru2+4 and a molecular weight of 1693.79 g/mol. Its IUPAC name is 2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]-N-[2-[[2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carbonyl]amino]ethyl]pyridine-4-carboxamide;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+)).

Molecular Properties

Compound Name2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]-N-[2-[[2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carbonyl]amino]ethyl]pyridine-4-carboxamide;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+))
PubChem CID139250785
Molecular FormulaC90H66N20O4Ru2+4
Molecular Weight1693.79 g/mol
Exact Mass1694.36
IUPAC Name2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]-N-[2-[[2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carbonyl]amino]ethyl]pyridine-4-carboxamide;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+))
SMILESO=C(NCCNC(=O)c1ccnc(-c2cc(C(=O)Nc3cc4cccnc4c4ncccc34)ccn2)c1)c1ccnc(-c2cc(C(=O)Nc3cc4cccnc4c4ncccc34)ccn2)c1.[Ru+2].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C50H34N12O4.4C10H8N2.2Ru/c63-47(31-9-17-51-39(25-31)41-27-33(11-19-53-41)49(65)61-37-23-29-5-1-13-55-43(29)45-35(37)7-3-15-57-45)59-21-22-60-48(64)32-10-18-52-40(26-32)42-28-34(12-20-54-42)50(66)62-38-24-30-6-2-14-56-44(30)46-36(38)8-4-16-58-46;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h1-20,23-28H,21-22H2,(H,59,63)(H,60,64)(H,61,65)(H,62,66);4*1-8H;;/q;;;;;2*+2
InChIKeySSQXMTGDIOYLSU-UHFFFAOYSA-N
XLogP16.03
TPSA322.64 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds15
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001693.79
LogP ≤ 516.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]-N-[2-[[2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carbonyl]amino]ethyl]pyridine-4-carboxamide;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+)) with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]-N-[2-[[2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carbonyl]amino]ethyl]pyridine-4-carboxamide;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+))?
The IUPAC name of 2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]-N-[2-[[2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carbonyl]amino]ethyl]pyridine-4-carboxamide;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+)) (CID 139250785) is 2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]-N-[2-[[2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carbonyl]amino]ethyl]pyridine-4-carboxamide;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+)).
What is the SMILES notation for 2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]-N-[2-[[2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carbonyl]amino]ethyl]pyridine-4-carboxamide;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+))?
The canonical SMILES for 2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]-N-[2-[[2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carbonyl]amino]ethyl]pyridine-4-carboxamide;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+)) is O=C(NCCNC(=O)c1ccnc(-c2cc(C(=O)Nc3cc4cccnc4c4ncccc34)ccn2)c1)c1ccnc(-c2cc(C(=O)Nc3cc4cccnc4c4ncccc34)ccn2)c1.[Ru+2].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]-N-[2-[[2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carbonyl]amino]ethyl]pyridine-4-carboxamide;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+))?
The InChIKey is SSQXMTGDIOYLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N12O4.4C10H8N2.2Ru/c63-47(31-9-17-51-39(25-31)41-27-33(11-19-53-41)49(65)61-37-23-29-5-1-13-55-43(29)45-35(37)7-3-15-57-45)59-21-22-60-48(64)32-10-18-52-40(26-32)42-28-34(12-20-54-42)50(66)62-38-24-30-6-2-14-56-44(30)46-36(38)8-4-16-58-46;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h1-20,23-28H,21-22H2,(H,59,63)(H,60,64)(H,61,65)(H,62,66);4*1-8H;;/q;;;;;2*+2.
What are the key properties of 2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]-N-[2-[[2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carbonyl]amino]ethyl]pyridine-4-carboxamide;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+))?
2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]-N-[2-[[2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carbonyl]amino]ethyl]pyridine-4-carboxamide;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+)) has a molecular weight of 1693.79 g/mol, XLogP of 16.03, 15 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]-N-[2-[[2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carbonyl]amino]ethyl]pyridine-4-carboxamide;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+)) is sourced from PubChem (CID 139250785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).