carbon monoxide;4,7-dimethyl-1,10-phenanthroline;rhenium

C17H12N2O3Re — CID 16741203

IUPACcarbon monoxide;4,7-dimethyl-1,10-phenanthroline;rhenium
SMILESCc1ccnc2c1ccc1c(C)ccnc12.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re]
InChIInChI=1S/C14H12N2.3CO.Re/c1-9-5-7-15-13-11(9)3-4-12-10(2)6-8-16-14(12)13;3*1-2;/h3-8H,1-2H3;;;;
InChIKeySINYNGNXCUIFTB-UHFFFAOYSA-N
MW478.50 g/mol
LogP3.28
Rot. Bonds

About carbon monoxide;4,7-dimethyl-1,10-phenanthroline;rhenium

carbon monoxide;4,7-dimethyl-1,10-phenanthroline;rhenium (PubChem CID 16741203) has the molecular formula C17H12N2O3Re and a molecular weight of 478.50 g/mol. Its IUPAC name is carbon monoxide;4,7-dimethyl-1,10-phenanthroline;rhenium.

Molecular Properties

Compound Namecarbon monoxide;4,7-dimethyl-1,10-phenanthroline;rhenium
PubChem CID16741203
Molecular FormulaC17H12N2O3Re
Molecular Weight478.50 g/mol
Exact Mass479.04
IUPAC Namecarbon monoxide;4,7-dimethyl-1,10-phenanthroline;rhenium
SMILESCc1ccnc2c1ccc1c(C)ccnc12.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re]
InChIInChI=1S/C14H12N2.3CO.Re/c1-9-5-7-15-13-11(9)3-4-12-10(2)6-8-16-14(12)13;3*1-2;/h3-8H,1-2H3;;;;
InChIKeySINYNGNXCUIFTB-UHFFFAOYSA-N
XLogP3.28
TPSA85.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.50
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;4,7-dimethyl-1,10-phenanthroline;rhenium?
The IUPAC name of carbon monoxide;4,7-dimethyl-1,10-phenanthroline;rhenium (CID 16741203) is carbon monoxide;4,7-dimethyl-1,10-phenanthroline;rhenium.
What is the SMILES notation for carbon monoxide;4,7-dimethyl-1,10-phenanthroline;rhenium?
The canonical SMILES for carbon monoxide;4,7-dimethyl-1,10-phenanthroline;rhenium is Cc1ccnc2c1ccc1c(C)ccnc12.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re].
What is the InChIKey of carbon monoxide;4,7-dimethyl-1,10-phenanthroline;rhenium?
The InChIKey is SINYNGNXCUIFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2.3CO.Re/c1-9-5-7-15-13-11(9)3-4-12-10(2)6-8-16-14(12)13;3*1-2;/h3-8H,1-2H3;;;;.
What are the key properties of carbon monoxide;4,7-dimethyl-1,10-phenanthroline;rhenium?
carbon monoxide;4,7-dimethyl-1,10-phenanthroline;rhenium has a molecular weight of 478.50 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;4,7-dimethyl-1,10-phenanthroline;rhenium is sourced from PubChem (CID 16741203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).