10-(1-bromononyl)-9H-acridine

C22H28BrN — CID 67429174

IUPAC10-(1-bromononyl)-9H-acridine
SMILESCCCCCCCCC(Br)N1c2ccccc2Cc2ccccc21
InChIInChI=1S/C22H28BrN/c1-2-3-4-5-6-7-16-22(23)24-20-14-10-8-12-18(20)17-19-13-9-11-15-21(19)24/h8-15,22H,2-7,16-17H2,1H3
InChIKeyOKRLESKQYHJVJT-UHFFFAOYSA-N
MW386.38 g/mol
LogP7.20
Rot. Bonds8

About 10-(1-bromononyl)-9H-acridine

10-(1-bromononyl)-9H-acridine (PubChem CID 67429174) has the molecular formula C22H28BrN and a molecular weight of 386.38 g/mol. Its IUPAC name is 10-(1-bromononyl)-9H-acridine.

Molecular Properties

Compound Name10-(1-bromononyl)-9H-acridine
PubChem CID67429174
Molecular FormulaC22H28BrN
Molecular Weight386.38 g/mol
Exact Mass385.14
IUPAC Name10-(1-bromononyl)-9H-acridine
SMILESCCCCCCCCC(Br)N1c2ccccc2Cc2ccccc21
InChIInChI=1S/C22H28BrN/c1-2-3-4-5-6-7-16-22(23)24-20-14-10-8-12-18(20)17-19-13-9-11-15-21(19)24/h8-15,22H,2-7,16-17H2,1H3
InChIKeyOKRLESKQYHJVJT-UHFFFAOYSA-N
XLogP7.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.38
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-(1-bromononyl)-9H-acridine?
The IUPAC name of 10-(1-bromononyl)-9H-acridine (CID 67429174) is 10-(1-bromononyl)-9H-acridine.
What is the SMILES notation for 10-(1-bromononyl)-9H-acridine?
The canonical SMILES for 10-(1-bromononyl)-9H-acridine is CCCCCCCCC(Br)N1c2ccccc2Cc2ccccc21.
What is the InChIKey of 10-(1-bromononyl)-9H-acridine?
The InChIKey is OKRLESKQYHJVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28BrN/c1-2-3-4-5-6-7-16-22(23)24-20-14-10-8-12-18(20)17-19-13-9-11-15-21(19)24/h8-15,22H,2-7,16-17H2,1H3.
What are the key properties of 10-(1-bromononyl)-9H-acridine?
10-(1-bromononyl)-9H-acridine has a molecular weight of 386.38 g/mol, XLogP of 7.20, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(1-bromononyl)-9H-acridine is sourced from PubChem (CID 67429174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).