1H-cyclopenta[b][1,10]phenanthroline

C15H10N2 — CID 136803977

IUPAC1H-cyclopenta[b][1,10]phenanthroline
SMILESc1c[nH]c2c(c1)ccc1cc3cccc3nc12
InChIInChI=1S/C15H10N2/c1-3-11-9-12-7-6-10-4-2-8-16-14(10)15(12)17-13(11)5-1/h1-9,16H
InChIKeyJLMMUTFRJHIGGI-UHFFFAOYSA-N
MW218.26 g/mol
LogP3.87
Rot. Bonds

About 1H-cyclopenta[b][1,10]phenanthroline

1H-cyclopenta[b][1,10]phenanthroline (PubChem CID 136803977) has the molecular formula C15H10N2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1H-cyclopenta[b][1,10]phenanthroline.

Molecular Properties

Compound Name1H-cyclopenta[b][1,10]phenanthroline
PubChem CID136803977
Molecular FormulaC15H10N2
Molecular Weight218.26 g/mol
Exact Mass218.08
IUPAC Name1H-cyclopenta[b][1,10]phenanthroline
SMILESc1c[nH]c2c(c1)ccc1cc3cccc3nc12
InChIInChI=1S/C15H10N2/c1-3-11-9-12-7-6-10-4-2-8-16-14(10)15(12)17-13(11)5-1/h1-9,16H
InChIKeyJLMMUTFRJHIGGI-UHFFFAOYSA-N
XLogP3.87
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1H-cyclopenta[b][1,10]phenanthroline?
The IUPAC name of 1H-cyclopenta[b][1,10]phenanthroline (CID 136803977) is 1H-cyclopenta[b][1,10]phenanthroline.
What is the SMILES notation for 1H-cyclopenta[b][1,10]phenanthroline?
The canonical SMILES for 1H-cyclopenta[b][1,10]phenanthroline is c1c[nH]c2c(c1)ccc1cc3cccc3nc12.
What is the InChIKey of 1H-cyclopenta[b][1,10]phenanthroline?
The InChIKey is JLMMUTFRJHIGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2/c1-3-11-9-12-7-6-10-4-2-8-16-14(10)15(12)17-13(11)5-1/h1-9,16H.
What are the key properties of 1H-cyclopenta[b][1,10]phenanthroline?
1H-cyclopenta[b][1,10]phenanthroline has a molecular weight of 218.26 g/mol, XLogP of 3.87, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-cyclopenta[b][1,10]phenanthroline is sourced from PubChem (CID 136803977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).