benzo[b]acridine

C17H11N — CID 6451416

IUPACbenzo[b]acridine
SMILESc1ccc2cc3nc4ccccc4cc3cc2c1
InChIInChI=1S/C17H11N/c1-2-6-13-11-17-15(9-12(13)5-1)10-14-7-3-4-8-16(14)18-17/h1-11H
InChIKeyJZYMCIPZZLIJKR-UHFFFAOYSA-N
MW229.28 g/mol
LogP4.54
Rot. Bonds

About benzo[b]acridine

benzo[b]acridine (PubChem CID 6451416) has the molecular formula C17H11N and a molecular weight of 229.28 g/mol. Its IUPAC name is benzo[b]acridine.

Molecular Properties

Compound Namebenzo[b]acridine
PubChem CID6451416
Molecular FormulaC17H11N
Molecular Weight229.28 g/mol
Exact Mass229.09
IUPAC Namebenzo[b]acridine
SMILESc1ccc2cc3nc4ccccc4cc3cc2c1
InChIInChI=1S/C17H11N/c1-2-6-13-11-17-15(9-12(13)5-1)10-14-7-3-4-8-16(14)18-17/h1-11H
InChIKeyJZYMCIPZZLIJKR-UHFFFAOYSA-N
XLogP4.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Acridine
CID 9215
Benz(c)acridine
CID 9181
7H-Dibenzo(c,g)carbazole
CID 9134
Benzo(F)Quinoline
CID 6796
Dibenz(a,j)acridine
CID 9177
DIBENZ(a,h)ACRIDINE
CID 9183
Dibenz(c,h)acridine
CID 9178
Bathocuproine
CID 65149
2,6-Dimethylquinoline
CID 13414
2-Phenylquinoline
CID 71545
2,4-Dimethylquinoline
CID 14536
Ethidium
CID 3624

Frequently Asked Questions

What is the IUPAC name of benzo[b]acridine?
The IUPAC name of benzo[b]acridine (CID 6451416) is benzo[b]acridine.
What is the SMILES notation for benzo[b]acridine?
The canonical SMILES for benzo[b]acridine is c1ccc2cc3nc4ccccc4cc3cc2c1.
What is the InChIKey of benzo[b]acridine?
The InChIKey is JZYMCIPZZLIJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N/c1-2-6-13-11-17-15(9-12(13)5-1)10-14-7-3-4-8-16(14)18-17/h1-11H.
What are the key properties of benzo[b]acridine?
benzo[b]acridine has a molecular weight of 229.28 g/mol, XLogP of 4.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[b]acridine is sourced from PubChem (CID 6451416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).