cobalt;tris(4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine)

C84H132CoN6 — CID 140844101

IUPACcobalt;tris(4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine)
SMILESCCCCCCCCCc1ccnc(-c2cc(CCCCCCCCC)ccn2)c1.CCCCCCCCCc1ccnc(-c2cc(CCCCCCCCC)ccn2)c1.CCCCCCCCCc1ccnc(-c2cc(CCCCCCCCC)ccn2)c1.[Co]
InChIInChI=1S/3C28H44N2.Co/c3*1-3-5-7-9-11-13-15-17-25-19-21-29-27(23-25)28-24-26(20-22-30-28)18-16-14-12-10-8-6-4-2;/h3*19-24H,3-18H2,1-2H3;
InChIKeyCKMMNNSJYSRTFF-UHFFFAOYSA-N
MW1284.95 g/mol
LogP26.19
Rot. Bonds51

About cobalt;tris(4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine)

cobalt;tris(4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine) (PubChem CID 140844101) has the molecular formula C84H132CoN6 and a molecular weight of 1284.95 g/mol. Its IUPAC name is cobalt;tris(4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine).

Molecular Properties

Compound Namecobalt;tris(4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine)
PubChem CID140844101
Molecular FormulaC84H132CoN6
Molecular Weight1284.95 g/mol
Exact Mass1283.98
IUPAC Namecobalt;tris(4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine)
SMILESCCCCCCCCCc1ccnc(-c2cc(CCCCCCCCC)ccn2)c1.CCCCCCCCCc1ccnc(-c2cc(CCCCCCCCC)ccn2)c1.CCCCCCCCCc1ccnc(-c2cc(CCCCCCCCC)ccn2)c1.[Co]
InChIInChI=1S/3C28H44N2.Co/c3*1-3-5-7-9-11-13-15-17-25-19-21-29-27(23-25)28-24-26(20-22-30-28)18-16-14-12-10-8-6-4-2;/h3*19-24H,3-18H2,1-2H3;
InChIKeyCKMMNNSJYSRTFF-UHFFFAOYSA-N
XLogP26.19
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds51
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001284.95
LogP ≤ 526.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-dodecyl-2-(4-dodecyl-2-pyridinyl)pyridine
CID 11283283
4-nonadecyl-2-(4-nonadecyl-2-pyridinyl)pyridine
CID 12503697
2-(4-decyl-2-pyridinyl)-4-octylpyridine
CID 102418537
4-tridecyl-2-(4-tridecyl-2-pyridinyl)pyridine
CID 15313372
4-hexyl-2-(4-hexyl-2-pyridinyl)pyridine;ruthenium
CID 159580616
2-(4-hexadecyl-2-pyridinyl)-4-methylpyridine
CID 12820693
2-chloro-4-hexadecylpyridine
CID 170566187
2-chloro-4-pentadecylpyridine
CID 174517606
6-[2-[4-(6-sulfanylhexyl)-2-pyridinyl]-4-pyridinyl]hexane-1-thiol
CID 122371372
(4-octyl-2-pyridinyl)methanol
CID 156538031
4-docosylpyridine-2-carboxylic acid
CID 174759337
triethoxy-[9-[2-[4-[9-(triethoxy-λ4-sulfanyl)nonyl]-2-pyridinyl]-4-pyridinyl]nonyl]-λ4-sulfane
CID 142565663

Frequently Asked Questions

What is the IUPAC name of cobalt;tris(4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine)?
The IUPAC name of cobalt;tris(4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine) (CID 140844101) is cobalt;tris(4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine).
What is the SMILES notation for cobalt;tris(4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine)?
The canonical SMILES for cobalt;tris(4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine) is CCCCCCCCCc1ccnc(-c2cc(CCCCCCCCC)ccn2)c1.CCCCCCCCCc1ccnc(-c2cc(CCCCCCCCC)ccn2)c1.CCCCCCCCCc1ccnc(-c2cc(CCCCCCCCC)ccn2)c1.[Co].
What is the InChIKey of cobalt;tris(4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine)?
The InChIKey is CKMMNNSJYSRTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C28H44N2.Co/c3*1-3-5-7-9-11-13-15-17-25-19-21-29-27(23-25)28-24-26(20-22-30-28)18-16-14-12-10-8-6-4-2;/h3*19-24H,3-18H2,1-2H3;.
What are the key properties of cobalt;tris(4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine)?
cobalt;tris(4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine) has a molecular weight of 1284.95 g/mol, XLogP of 26.19, 51 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;tris(4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine) is sourced from PubChem (CID 140844101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).