2-bromo-12-quinolin-2-ylbenzo[b]acridine

C26H15BrN2 — CID 141398116

IUPAC2-bromo-12-quinolin-2-ylbenzo[b]acridine
SMILESBrc1ccc2nc3cc4ccccc4cc3c(-c3ccc4ccccc4n3)c2c1
InChIInChI=1S/C26H15BrN2/c27-19-10-12-23-21(15-19)26(24-11-9-16-5-3-4-8-22(16)28-24)20-13-17-6-1-2-7-18(17)14-25(20)29-23/h1-15H
InChIKeyXCNDVXJUBWEFCL-UHFFFAOYSA-N
MW435.32 g/mol
LogP7.52
Rot. Bonds1

About 2-bromo-12-quinolin-2-ylbenzo[b]acridine

2-bromo-12-quinolin-2-ylbenzo[b]acridine (PubChem CID 141398116) has the molecular formula C26H15BrN2 and a molecular weight of 435.32 g/mol. Its IUPAC name is 2-bromo-12-quinolin-2-ylbenzo[b]acridine.

Molecular Properties

Compound Name2-bromo-12-quinolin-2-ylbenzo[b]acridine
PubChem CID141398116
Molecular FormulaC26H15BrN2
Molecular Weight435.32 g/mol
Exact Mass434.04
IUPAC Name2-bromo-12-quinolin-2-ylbenzo[b]acridine
SMILESBrc1ccc2nc3cc4ccccc4cc3c(-c3ccc4ccccc4n3)c2c1
InChIInChI=1S/C26H15BrN2/c27-19-10-12-23-21(15-19)26(24-11-9-16-5-3-4-8-22(16)28-24)20-13-17-6-1-2-7-18(17)14-25(20)29-23/h1-15H
InChIKeyXCNDVXJUBWEFCL-UHFFFAOYSA-N
XLogP7.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.32
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benz(c)acridine
CID 9181
Dibenz(a,j)acridine
CID 9177
DIBENZ(a,h)ACRIDINE
CID 9183
Dibenz(c,h)acridine
CID 9178
Benz(a)acridine
CID 9180
7-Methylbenz(c)acridine
CID 76861
Dibenz(a,c)acridine
CID 9165
7,9-Dimethylbenz(c)acridine
CID 13757
7,10-Dimethylbenz(c)acridine
CID 16936
3-Bromo-5-(2-methylquinolin-7-yl)benzonitrile
CID 44432681
Dibenzo(a,c)phenazine
CID 9166
1,3-Diphenyl-benzo(F)quinoline
CID 3094016

Frequently Asked Questions

What is the IUPAC name of 2-bromo-12-quinolin-2-ylbenzo[b]acridine?
The IUPAC name of 2-bromo-12-quinolin-2-ylbenzo[b]acridine (CID 141398116) is 2-bromo-12-quinolin-2-ylbenzo[b]acridine.
What is the SMILES notation for 2-bromo-12-quinolin-2-ylbenzo[b]acridine?
The canonical SMILES for 2-bromo-12-quinolin-2-ylbenzo[b]acridine is Brc1ccc2nc3cc4ccccc4cc3c(-c3ccc4ccccc4n3)c2c1.
What is the InChIKey of 2-bromo-12-quinolin-2-ylbenzo[b]acridine?
The InChIKey is XCNDVXJUBWEFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15BrN2/c27-19-10-12-23-21(15-19)26(24-11-9-16-5-3-4-8-22(16)28-24)20-13-17-6-1-2-7-18(17)14-25(20)29-23/h1-15H.
What are the key properties of 2-bromo-12-quinolin-2-ylbenzo[b]acridine?
2-bromo-12-quinolin-2-ylbenzo[b]acridine has a molecular weight of 435.32 g/mol, XLogP of 7.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-12-quinolin-2-ylbenzo[b]acridine is sourced from PubChem (CID 141398116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).