9-phenyl-1,7-phenanthroline;rubidium(1+)

C18H11N2Rb — CID 59412913

IUPAC9-phenyl-1,7-phenanthroline;rubidium(1+)
SMILES[Rb+].[c-]1cccc(-c2cnc3ccc4cccnc4c3c2)c1
InChIInChI=1S/C18H11N2.Rb/c1-2-5-13(6-3-1)15-11-16-17(20-12-15)9-8-14-7-4-10-19-18(14)16;/h1-2,4-12H;/q-1;+1
InChIKeyHXFATVMZCUFCSX-UHFFFAOYSA-N
MW340.77 g/mol
LogP1.25
Rot. Bonds1

About 9-phenyl-1,7-phenanthroline;rubidium(1+)

9-phenyl-1,7-phenanthroline;rubidium(1+) (PubChem CID 59412913) has the molecular formula C18H11N2Rb and a molecular weight of 340.77 g/mol. Its IUPAC name is 9-phenyl-1,7-phenanthroline;rubidium(1+).

Molecular Properties

Compound Name9-phenyl-1,7-phenanthroline;rubidium(1+)
PubChem CID59412913
Molecular FormulaC18H11N2Rb
Molecular Weight340.77 g/mol
Exact Mass340.00
IUPAC Name9-phenyl-1,7-phenanthroline;rubidium(1+)
SMILES[Rb+].[c-]1cccc(-c2cnc3ccc4cccnc4c3c2)c1
InChIInChI=1S/C18H11N2.Rb/c1-2-5-13(6-3-1)15-11-16-17(20-12-15)9-8-14-7-4-10-19-18(14)16;/h1-2,4-12H;/q-1;+1
InChIKeyHXFATVMZCUFCSX-UHFFFAOYSA-N
XLogP1.25
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-(4-naphthalen-2-ylphenyl)-1,7-phenanthroline
CID 59412911
9-bromo-1,7-phenanthroline
CID 59412924
1,7-phenanthrolin-9-ylboronic acid
CID 175292482
1,7-phenanthroline;vanadium
CID 174318955
1,7-phenanthroline;dihydrochloride
CID 174688507
3-[4-[4-(1,10-phenanthrolin-3-yl)phenyl]phenyl]-1,10-phenanthroline
CID 118405011
methanol;1,7-phenanthroline
CID 174496893
3-[6-(1,10-phenanthrolin-3-yl)-2-phenylpyrimidin-4-yl]-1,10-phenanthroline
CID 146474053
europium(3+);1,7-phenanthroline;trinitrate
CID 174550774
1,10-phenanthroline;samarium
CID 174616745
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
CID 58385596
CID 58385596

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-1,7-phenanthroline;rubidium(1+)?
The IUPAC name of 9-phenyl-1,7-phenanthroline;rubidium(1+) (CID 59412913) is 9-phenyl-1,7-phenanthroline;rubidium(1+).
What is the SMILES notation for 9-phenyl-1,7-phenanthroline;rubidium(1+)?
The canonical SMILES for 9-phenyl-1,7-phenanthroline;rubidium(1+) is [Rb+].[c-]1cccc(-c2cnc3ccc4cccnc4c3c2)c1.
What is the InChIKey of 9-phenyl-1,7-phenanthroline;rubidium(1+)?
The InChIKey is HXFATVMZCUFCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N2.Rb/c1-2-5-13(6-3-1)15-11-16-17(20-12-15)9-8-14-7-4-10-19-18(14)16;/h1-2,4-12H;/q-1;+1.
What are the key properties of 9-phenyl-1,7-phenanthroline;rubidium(1+)?
9-phenyl-1,7-phenanthroline;rubidium(1+) has a molecular weight of 340.77 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-1,7-phenanthroline;rubidium(1+) is sourced from PubChem (CID 59412913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).