2-quinolin-2-ylbenzo[b][1,10]phenanthroline

C25H15N3 — CID 11371746

IUPAC2-quinolin-2-ylbenzo[b][1,10]phenanthroline
SMILESc1ccc2nc(-c3ccc4ccc5cc6ccccc6nc5c4n3)ccc2c1
InChIInChI=1S/C25H15N3/c1-3-7-20-16(5-1)11-13-22(26-20)23-14-12-17-9-10-19-15-18-6-2-4-8-21(18)27-25(19)24(17)28-23/h1-15H
InChIKeySGZKKCRJUVHEAA-UHFFFAOYSA-N
MW357.42 g/mol
LogP6.15
Rot. Bonds1

About 2-quinolin-2-ylbenzo[b][1,10]phenanthroline

2-quinolin-2-ylbenzo[b][1,10]phenanthroline (PubChem CID 11371746) has the molecular formula C25H15N3 and a molecular weight of 357.42 g/mol. Its IUPAC name is 2-quinolin-2-ylbenzo[b][1,10]phenanthroline.

Molecular Properties

Compound Name2-quinolin-2-ylbenzo[b][1,10]phenanthroline
PubChem CID11371746
Molecular FormulaC25H15N3
Molecular Weight357.42 g/mol
Exact Mass357.13
IUPAC Name2-quinolin-2-ylbenzo[b][1,10]phenanthroline
SMILESc1ccc2nc(-c3ccc4ccc5cc6ccccc6nc5c4n3)ccc2c1
InChIInChI=1S/C25H15N3/c1-3-7-20-16(5-1)11-13-22(26-20)23-14-12-17-9-10-19-15-18-6-2-4-8-21(18)27-25(19)24(17)28-23/h1-15H
InChIKeySGZKKCRJUVHEAA-UHFFFAOYSA-N
XLogP6.15
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.42
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-(1H-benzimidazol-2-yl)benzo[b][1,10]phenanthroline
CID 175723267
2-methylbenzo[b][1,10]phenanthroline
CID 11615688
7-bromo-8-methyl-2-quinolin-2-ylquinoline
CID 175727563
acridine
CID 21226281
2-(5-quinolin-2-yl-1H-pyrrol-2-yl)quinoline
CID 18470716
4-propan-2-ylacridine
CID 87209750
acridine;dihydrate
CID 172843020
acridine;iron
CID 158030240
acridine;sulfane
CID 159134653
acridine;argon
CID 157415582
acridine;methane
CID 21324126
2-(3-quinolin-2-ylphenyl)-9-(trideuteriomethyl)-1,10-phenanthroline
CID 171732086

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-2-ylbenzo[b][1,10]phenanthroline?
The IUPAC name of 2-quinolin-2-ylbenzo[b][1,10]phenanthroline (CID 11371746) is 2-quinolin-2-ylbenzo[b][1,10]phenanthroline.
What is the SMILES notation for 2-quinolin-2-ylbenzo[b][1,10]phenanthroline?
The canonical SMILES for 2-quinolin-2-ylbenzo[b][1,10]phenanthroline is c1ccc2nc(-c3ccc4ccc5cc6ccccc6nc5c4n3)ccc2c1.
What is the InChIKey of 2-quinolin-2-ylbenzo[b][1,10]phenanthroline?
The InChIKey is SGZKKCRJUVHEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15N3/c1-3-7-20-16(5-1)11-13-22(26-20)23-14-12-17-9-10-19-15-18-6-2-4-8-21(18)27-25(19)24(17)28-23/h1-15H.
What are the key properties of 2-quinolin-2-ylbenzo[b][1,10]phenanthroline?
2-quinolin-2-ylbenzo[b][1,10]phenanthroline has a molecular weight of 357.42 g/mol, XLogP of 6.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-2-ylbenzo[b][1,10]phenanthroline is sourced from PubChem (CID 11371746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).