4-[5-(3,4-dioctyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-2,6-dipyridin-2-ylpyridine;(2,6-dipyridin-2-yl-4-pyridinyl)phosphonic acid;ruthenium

C58H61N6O3PRuS3 — CID 59841640

IUPAC4-[5-(3,4-dioctyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-2,6-dipyridin-2-ylpyridine;(2,6-dipyridin-2-yl-4-pyridinyl)phosphonic acid;ruthenium
SMILESCCCCCCCCc1c(-c2cccs2)sc(-c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)s2)c1CCCCCCCC.O=P(O)(O)c1cc(-c2ccccn2)nc(-c2ccccn2)c1.[Ru]
InChIInChI=1S/C43H49N3S3.C15H12N3O3P.Ru/c1-3-5-7-9-11-13-20-33-34(21-14-12-10-8-6-4-2)43(49-42(33)40-24-19-29-47-40)41-26-25-39(48-41)32-30-37(35-22-15-17-27-44-35)46-38(31-32)36-23-16-18-28-45-36;19-22(20,21)11-9-14(12-5-1-3-7-16-12)18-15(10-11)13-6-2-4-8-17-13;/h15-19,22-31H,3-14,20-21H2,1-2H3;1-10H,(H2,19,20,21);
InChIKeyJVJQRFLNWLMPNR-UHFFFAOYSA-N
MW1118.41 g/mol
LogP16.20
Rot. Bonds22

About 4-[5-(3,4-dioctyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-2,6-dipyridin-2-ylpyridine;(2,6-dipyridin-2-yl-4-pyridinyl)phosphonic acid;ruthenium

4-[5-(3,4-dioctyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-2,6-dipyridin-2-ylpyridine;(2,6-dipyridin-2-yl-4-pyridinyl)phosphonic acid;ruthenium (PubChem CID 59841640) has the molecular formula C58H61N6O3PRuS3 and a molecular weight of 1118.41 g/mol. Its IUPAC name is 4-[5-(3,4-dioctyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-2,6-dipyridin-2-ylpyridine;(2,6-dipyridin-2-yl-4-pyridinyl)phosphonic acid;ruthenium.

Molecular Properties

Compound Name4-[5-(3,4-dioctyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-2,6-dipyridin-2-ylpyridine;(2,6-dipyridin-2-yl-4-pyridinyl)phosphonic acid;ruthenium
PubChem CID59841640
Molecular FormulaC58H61N6O3PRuS3
Molecular Weight1118.41 g/mol
Exact Mass1118.27
IUPAC Name4-[5-(3,4-dioctyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-2,6-dipyridin-2-ylpyridine;(2,6-dipyridin-2-yl-4-pyridinyl)phosphonic acid;ruthenium
SMILESCCCCCCCCc1c(-c2cccs2)sc(-c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)s2)c1CCCCCCCC.O=P(O)(O)c1cc(-c2ccccn2)nc(-c2ccccn2)c1.[Ru]
InChIInChI=1S/C43H49N3S3.C15H12N3O3P.Ru/c1-3-5-7-9-11-13-20-33-34(21-14-12-10-8-6-4-2)43(49-42(33)40-24-19-29-47-40)41-26-25-39(48-41)32-30-37(35-22-15-17-27-44-35)46-38(31-32)36-23-16-18-28-45-36;19-22(20,21)11-9-14(12-5-1-3-7-16-12)18-15(10-11)13-6-2-4-8-17-13;/h15-19,22-31H,3-14,20-21H2,1-2H3;1-10H,(H2,19,20,21);
InChIKeyJVJQRFLNWLMPNR-UHFFFAOYSA-N
XLogP16.20
TPSA134.87 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds22
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001118.41
LogP ≤ 516.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-[5-(3,4-dioctyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-2,6-dipyridin-2-ylpyridine;(2,6-dipyridin-2-yl-4-pyridinyl)phosphonic acid;ruthenium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-[5-(3,4-dioctyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-3,4-dioctyl-5-thiophen-2-ylthiophene
CID 59188449
2-(3,4-dihydropyridin-6-yl)-4-[2-[5-(3,4-dioctyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]ethyl]-6-pyridin-2-ylpyridine;(2,6-dipyridin-2-yl-4-pyridinyl)-hydroperoxyphosphane;propane;ruthenium;hydrate
CID 161471504
4-[5-(2,6-dipyridin-2-yl-4-pyridinyl)thiophen-2-yl]-N,N-dihexylaniline
CID 132522913
2-pyridin-2-yl-4,6-dithiophen-2-ylpyridine
CID 10734487
4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-[3-[5-(5-octylthiophen-2-yl)thiophen-2-yl]phenyl]-6-[4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine
CID 58321391
4-hexyl-2-[5-(4-hexyl-2-thiophen-2-yl-1,3-thiazol-5-yl)thiophen-2-yl]-5-thiophen-2-yl-1,3-thiazole
CID 59297189
6-[5-(2,6-dipyridin-2-yl-4-pyridinyl)-2-[5-[5-[5-(2,6-dipyridin-2-yl-4-pyridinyl)-3-(6-triethylphosphaniumylhexyl)thiophen-2-yl]-3-(6-triethylphosphaniumylhexyl)thiophen-2-yl]-4-(6-triethylphosphaniumylhexyl)thiophen-2-yl]thiophen-3-yl]hexyl-triethylphosphanium
CID 132562013
3,4-dihexyl-2-[5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 90025368
4-(4-octadecoxyphenyl)-2,6-dipyridin-2-ylpyridine
CID 101424880
4-(4-dodecoxyphenyl)-2,6-dipyridin-2-ylpyridine
CID 15434011
2-(5-tridecylthiophen-2-yl)pyridine
CID 24787944
2-[3,4-dibutyl-5-[5-[3,4-dibutyl-5-(1,10-phenanthrolin-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-1,10-phenanthroline
CID 11520712

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3,4-dioctyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-2,6-dipyridin-2-ylpyridine;(2,6-dipyridin-2-yl-4-pyridinyl)phosphonic acid;ruthenium?
The IUPAC name of 4-[5-(3,4-dioctyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-2,6-dipyridin-2-ylpyridine;(2,6-dipyridin-2-yl-4-pyridinyl)phosphonic acid;ruthenium (CID 59841640) is 4-[5-(3,4-dioctyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-2,6-dipyridin-2-ylpyridine;(2,6-dipyridin-2-yl-4-pyridinyl)phosphonic acid;ruthenium.
What is the SMILES notation for 4-[5-(3,4-dioctyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-2,6-dipyridin-2-ylpyridine;(2,6-dipyridin-2-yl-4-pyridinyl)phosphonic acid;ruthenium?
The canonical SMILES for 4-[5-(3,4-dioctyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-2,6-dipyridin-2-ylpyridine;(2,6-dipyridin-2-yl-4-pyridinyl)phosphonic acid;ruthenium is CCCCCCCCc1c(-c2cccs2)sc(-c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)s2)c1CCCCCCCC.O=P(O)(O)c1cc(-c2ccccn2)nc(-c2ccccn2)c1.[Ru].
What is the InChIKey of 4-[5-(3,4-dioctyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-2,6-dipyridin-2-ylpyridine;(2,6-dipyridin-2-yl-4-pyridinyl)phosphonic acid;ruthenium?
The InChIKey is JVJQRFLNWLMPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H49N3S3.C15H12N3O3P.Ru/c1-3-5-7-9-11-13-20-33-34(21-14-12-10-8-6-4-2)43(49-42(33)40-24-19-29-47-40)41-26-25-39(48-41)32-30-37(35-22-15-17-27-44-35)46-38(31-32)36-23-16-18-28-45-36;19-22(20,21)11-9-14(12-5-1-3-7-16-12)18-15(10-11)13-6-2-4-8-17-13;/h15-19,22-31H,3-14,20-21H2,1-2H3;1-10H,(H2,19,20,21);.
What are the key properties of 4-[5-(3,4-dioctyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-2,6-dipyridin-2-ylpyridine;(2,6-dipyridin-2-yl-4-pyridinyl)phosphonic acid;ruthenium?
4-[5-(3,4-dioctyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-2,6-dipyridin-2-ylpyridine;(2,6-dipyridin-2-yl-4-pyridinyl)phosphonic acid;ruthenium has a molecular weight of 1118.41 g/mol, XLogP of 16.20, 22 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3,4-dioctyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-2,6-dipyridin-2-ylpyridine;(2,6-dipyridin-2-yl-4-pyridinyl)phosphonic acid;ruthenium is sourced from PubChem (CID 59841640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).