carbon monoxide;cobalt;4-phenylbuta-1,3-diynylbenzene;ruthenium

C30H10Co2O14Ru3 — CID 11147470

IUPACcarbon monoxide;cobalt;4-phenylbuta-1,3-diynylbenzene;ruthenium
SMILESC(C#Cc1ccccc1)#Cc1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co].[Ru].[Ru].[Ru]
InChIInChI=1S/C16H10.14CO.2Co.3Ru/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16;14*1-2;;;;;/h1-6,9-12H;;;;;;;;;;;;;;;;;;;
InChIKeyIUZQIRDJPHKANQ-UHFFFAOYSA-N
MW1015.47 g/mol
LogP2.55
Rot. Bonds

About carbon monoxide;cobalt;4-phenylbuta-1,3-diynylbenzene;ruthenium

carbon monoxide;cobalt;4-phenylbuta-1,3-diynylbenzene;ruthenium (PubChem CID 11147470) has the molecular formula C30H10Co2O14Ru3 and a molecular weight of 1015.47 g/mol. Its IUPAC name is carbon monoxide;cobalt;4-phenylbuta-1,3-diynylbenzene;ruthenium.

Molecular Properties

Compound Namecarbon monoxide;cobalt;4-phenylbuta-1,3-diynylbenzene;ruthenium
PubChem CID11147470
Molecular FormulaC30H10Co2O14Ru3
Molecular Weight1015.47 g/mol
Exact Mass1017.59
IUPAC Namecarbon monoxide;cobalt;4-phenylbuta-1,3-diynylbenzene;ruthenium
SMILESC(C#Cc1ccccc1)#Cc1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co].[Ru].[Ru].[Ru]
InChIInChI=1S/C16H10.14CO.2Co.3Ru/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16;14*1-2;;;;;/h1-6,9-12H;;;;;;;;;;;;;;;;;;;
InChIKeyIUZQIRDJPHKANQ-UHFFFAOYSA-N
XLogP2.55
TPSA278.60 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001015.47
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;cobalt;4-phenylbuta-1,3-diynylbenzene;ruthenium?
The IUPAC name of carbon monoxide;cobalt;4-phenylbuta-1,3-diynylbenzene;ruthenium (CID 11147470) is carbon monoxide;cobalt;4-phenylbuta-1,3-diynylbenzene;ruthenium.
What is the SMILES notation for carbon monoxide;cobalt;4-phenylbuta-1,3-diynylbenzene;ruthenium?
The canonical SMILES for carbon monoxide;cobalt;4-phenylbuta-1,3-diynylbenzene;ruthenium is C(C#Cc1ccccc1)#Cc1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co].[Ru].[Ru].[Ru].
What is the InChIKey of carbon monoxide;cobalt;4-phenylbuta-1,3-diynylbenzene;ruthenium?
The InChIKey is IUZQIRDJPHKANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10.14CO.2Co.3Ru/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16;14*1-2;;;;;/h1-6,9-12H;;;;;;;;;;;;;;;;;;;.
What are the key properties of carbon monoxide;cobalt;4-phenylbuta-1,3-diynylbenzene;ruthenium?
carbon monoxide;cobalt;4-phenylbuta-1,3-diynylbenzene;ruthenium has a molecular weight of 1015.47 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;cobalt;4-phenylbuta-1,3-diynylbenzene;ruthenium is sourced from PubChem (CID 11147470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).