10-(2H-1,7-phenanthrolin-1-yl)-1,7-phenanthroline

C24H16N4 — CID 175389564

IUPAC10-(2H-1,7-phenanthrolin-1-yl)-1,7-phenanthroline
SMILESC1=Cc2ccc3ncccc3c2N(c2ccnc3ccc4cccnc4c23)C1
InChIInChI=1S/C24H16N4/c1-4-16-7-10-20-22(23(16)27-13-1)21(11-14-26-20)28-15-3-5-17-8-9-19-18(24(17)28)6-2-12-25-19/h1-14H,15H2
InChIKeySTASRXNGMMWATL-UHFFFAOYSA-N
MW360.42 g/mol
LogP5.50
Rot. Bonds1

About 10-(2H-1,7-phenanthrolin-1-yl)-1,7-phenanthroline

10-(2H-1,7-phenanthrolin-1-yl)-1,7-phenanthroline (PubChem CID 175389564) has the molecular formula C24H16N4 and a molecular weight of 360.42 g/mol. Its IUPAC name is 10-(2H-1,7-phenanthrolin-1-yl)-1,7-phenanthroline.

Molecular Properties

Compound Name10-(2H-1,7-phenanthrolin-1-yl)-1,7-phenanthroline
PubChem CID175389564
Molecular FormulaC24H16N4
Molecular Weight360.42 g/mol
Exact Mass360.14
IUPAC Name10-(2H-1,7-phenanthrolin-1-yl)-1,7-phenanthroline
SMILESC1=Cc2ccc3ncccc3c2N(c2ccnc3ccc4cccnc4c23)C1
InChIInChI=1S/C24H16N4/c1-4-16-7-10-20-22(23(16)27-13-1)21(11-14-26-20)28-15-3-5-17-8-9-19-18(24(17)28)6-2-12-25-19/h1-14H,15H2
InChIKeySTASRXNGMMWATL-UHFFFAOYSA-N
XLogP5.50
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.42
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-2H-1,10-phenanthroline
CID 163209709
1,7-phenanthroline;vanadium
CID 174318955
1,7-phenanthroline;dihydrochloride
CID 174688507
methanol;1,7-phenanthroline
CID 174496893
16-methyl-3,16-diazatricyclo[8.6.0.02,7]hexadeca-1(10),2(7),3,5,8,11,13-heptaene
CID 123476841
13,23-diazahexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1,3,5,7,9,11,13,15,17,19(24),20,22,25-tridecaene
CID 175483832
benzo[h]quinolin-10-olate
CID 101433150
europium(3+);1,7-phenanthroline;trinitrate
CID 174550774
nitric acid;1,7-phenanthroline
CID 175111698
1,7-phenanthrolin-2-amine;bis(2-pyridin-2-ylpyridine)
CID 175508465
benzo[h]quinolin-10-ylhydrazine
CID 126501298
bis(1,10-phenanthroline);ruthenium
CID 15001085

Frequently Asked Questions

What is the IUPAC name of 10-(2H-1,7-phenanthrolin-1-yl)-1,7-phenanthroline?
The IUPAC name of 10-(2H-1,7-phenanthrolin-1-yl)-1,7-phenanthroline (CID 175389564) is 10-(2H-1,7-phenanthrolin-1-yl)-1,7-phenanthroline.
What is the SMILES notation for 10-(2H-1,7-phenanthrolin-1-yl)-1,7-phenanthroline?
The canonical SMILES for 10-(2H-1,7-phenanthrolin-1-yl)-1,7-phenanthroline is C1=Cc2ccc3ncccc3c2N(c2ccnc3ccc4cccnc4c23)C1.
What is the InChIKey of 10-(2H-1,7-phenanthrolin-1-yl)-1,7-phenanthroline?
The InChIKey is STASRXNGMMWATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N4/c1-4-16-7-10-20-22(23(16)27-13-1)21(11-14-26-20)28-15-3-5-17-8-9-19-18(24(17)28)6-2-12-25-19/h1-14H,15H2.
What are the key properties of 10-(2H-1,7-phenanthrolin-1-yl)-1,7-phenanthroline?
10-(2H-1,7-phenanthrolin-1-yl)-1,7-phenanthroline has a molecular weight of 360.42 g/mol, XLogP of 5.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2H-1,7-phenanthrolin-1-yl)-1,7-phenanthroline is sourced from PubChem (CID 175389564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).