N-[isocyanomethoxy-[5-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]pentoxy]phosphanyl]-N-propan-2-ylpropan-2-amine;bis(2-pyridin-2-ylpyridine);ruthenium

C44H51N8O2PRu — CID 59639264

IUPACN-[isocyanomethoxy-[5-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]pentoxy]phosphanyl]-N-propan-2-ylpropan-2-amine;bis(2-pyridin-2-ylpyridine);ruthenium
SMILES[C-]#[N+]COP(OCCCCCc1ccnc(-c2cc(C)ccn2)c1)N(C(C)C)C(C)C.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C24H35N4O2P.2C10H8N2.Ru/c1-19(2)28(20(3)4)31(30-18-25-6)29-15-9-7-8-10-22-12-14-27-24(17-22)23-16-21(5)11-13-26-23;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h11-14,16-17,19-20H,7-10,15,18H2,1-5H3;2*1-8H;
InChIKeyZFUIIQSPJIZBOT-UHFFFAOYSA-N
MW855.99 g/mol
LogP10.71
Rot. Bonds15

About N-[isocyanomethoxy-[5-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]pentoxy]phosphanyl]-N-propan-2-ylpropan-2-amine;bis(2-pyridin-2-ylpyridine);ruthenium

N-[isocyanomethoxy-[5-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]pentoxy]phosphanyl]-N-propan-2-ylpropan-2-amine;bis(2-pyridin-2-ylpyridine);ruthenium (PubChem CID 59639264) has the molecular formula C44H51N8O2PRu and a molecular weight of 855.99 g/mol. Its IUPAC name is N-[isocyanomethoxy-[5-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]pentoxy]phosphanyl]-N-propan-2-ylpropan-2-amine;bis(2-pyridin-2-ylpyridine);ruthenium.

Molecular Properties

Compound NameN-[isocyanomethoxy-[5-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]pentoxy]phosphanyl]-N-propan-2-ylpropan-2-amine;bis(2-pyridin-2-ylpyridine);ruthenium
PubChem CID59639264
Molecular FormulaC44H51N8O2PRu
Molecular Weight855.99 g/mol
Exact Mass856.29
IUPAC NameN-[isocyanomethoxy-[5-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]pentoxy]phosphanyl]-N-propan-2-ylpropan-2-amine;bis(2-pyridin-2-ylpyridine);ruthenium
SMILES[C-]#[N+]COP(OCCCCCc1ccnc(-c2cc(C)ccn2)c1)N(C(C)C)C(C)C.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C24H35N4O2P.2C10H8N2.Ru/c1-19(2)28(20(3)4)31(30-18-25-6)29-15-9-7-8-10-22-12-14-27-24(17-22)23-16-21(5)11-13-26-23;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h11-14,16-17,19-20H,7-10,15,18H2,1-5H3;2*1-8H;
InChIKeyZFUIIQSPJIZBOT-UHFFFAOYSA-N
XLogP10.71
TPSA103.40 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.99
LogP ≤ 510.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[isocyanomethoxy-[5-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]pentoxy]phosphanyl]-N-propan-2-ylpropan-2-amine;bis(2-pyridin-2-ylpyridine);ruthenium?
The IUPAC name of N-[isocyanomethoxy-[5-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]pentoxy]phosphanyl]-N-propan-2-ylpropan-2-amine;bis(2-pyridin-2-ylpyridine);ruthenium (CID 59639264) is N-[isocyanomethoxy-[5-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]pentoxy]phosphanyl]-N-propan-2-ylpropan-2-amine;bis(2-pyridin-2-ylpyridine);ruthenium.
What is the SMILES notation for N-[isocyanomethoxy-[5-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]pentoxy]phosphanyl]-N-propan-2-ylpropan-2-amine;bis(2-pyridin-2-ylpyridine);ruthenium?
The canonical SMILES for N-[isocyanomethoxy-[5-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]pentoxy]phosphanyl]-N-propan-2-ylpropan-2-amine;bis(2-pyridin-2-ylpyridine);ruthenium is [C-]#[N+]COP(OCCCCCc1ccnc(-c2cc(C)ccn2)c1)N(C(C)C)C(C)C.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of N-[isocyanomethoxy-[5-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]pentoxy]phosphanyl]-N-propan-2-ylpropan-2-amine;bis(2-pyridin-2-ylpyridine);ruthenium?
The InChIKey is ZFUIIQSPJIZBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N4O2P.2C10H8N2.Ru/c1-19(2)28(20(3)4)31(30-18-25-6)29-15-9-7-8-10-22-12-14-27-24(17-22)23-16-21(5)11-13-26-23;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h11-14,16-17,19-20H,7-10,15,18H2,1-5H3;2*1-8H;.
What are the key properties of N-[isocyanomethoxy-[5-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]pentoxy]phosphanyl]-N-propan-2-ylpropan-2-amine;bis(2-pyridin-2-ylpyridine);ruthenium?
N-[isocyanomethoxy-[5-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]pentoxy]phosphanyl]-N-propan-2-ylpropan-2-amine;bis(2-pyridin-2-ylpyridine);ruthenium has a molecular weight of 855.99 g/mol, XLogP of 10.71, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[isocyanomethoxy-[5-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]pentoxy]phosphanyl]-N-propan-2-ylpropan-2-amine;bis(2-pyridin-2-ylpyridine);ruthenium is sourced from PubChem (CID 59639264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).