1-bromo-9,9-dihexyl-10-(4-pyridin-2-ylphenyl)acridine

C36H41BrN2 — CID 174799636

IUPAC1-bromo-9,9-dihexyl-10-(4-pyridin-2-ylphenyl)acridine
SMILESCCCCCCC1(CCCCCC)c2ccccc2N(c2ccc(-c3ccccn3)cc2)c2cccc(Br)c21
InChIInChI=1S/C36H41BrN2/c1-3-5-7-12-25-36(26-13-8-6-4-2)30-16-9-10-19-33(30)39(34-20-15-17-31(37)35(34)36)29-23-21-28(22-24-29)32-18-11-14-27-38-32/h9-11,14-24,27H,3-8,12-13,25-26H2,1-2H3
InChIKeyOZBPISNLKHWHBF-UHFFFAOYSA-N
MW581.64 g/mol
LogP11.52
Rot. Bonds12

About 1-bromo-9,9-dihexyl-10-(4-pyridin-2-ylphenyl)acridine

1-bromo-9,9-dihexyl-10-(4-pyridin-2-ylphenyl)acridine (PubChem CID 174799636) has the molecular formula C36H41BrN2 and a molecular weight of 581.64 g/mol. Its IUPAC name is 1-bromo-9,9-dihexyl-10-(4-pyridin-2-ylphenyl)acridine.

Molecular Properties

Compound Name1-bromo-9,9-dihexyl-10-(4-pyridin-2-ylphenyl)acridine
PubChem CID174799636
Molecular FormulaC36H41BrN2
Molecular Weight581.64 g/mol
Exact Mass580.25
IUPAC Name1-bromo-9,9-dihexyl-10-(4-pyridin-2-ylphenyl)acridine
SMILESCCCCCCC1(CCCCCC)c2ccccc2N(c2ccc(-c3ccccn3)cc2)c2cccc(Br)c21
InChIInChI=1S/C36H41BrN2/c1-3-5-7-12-25-36(26-13-8-6-4-2)30-16-9-10-19-33(30)39(34-20-15-17-31(37)35(34)36)29-23-21-28(22-24-29)32-18-11-14-27-38-32/h9-11,14-24,27H,3-8,12-13,25-26H2,1-2H3
InChIKeyOZBPISNLKHWHBF-UHFFFAOYSA-N
XLogP11.52
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.64
LogP ≤ 511.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-bromo-9,9-dihexyl-10-(4-pyridin-2-ylphenyl)acridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9,9-dibutyl-3-pyridin-2-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
CID 160772929
2-(4-tert-butylphenyl)-5-[4-(9,9-dioctylacridin-10-yl)phenyl]-1,3,4-oxadiazole
CID 154638202
15,15,33,33-tetrahexyl-8,26-diphenyl-18,36-dioxa-8,26-diazanonacyclo[19.15.0.03,19.04,17.07,16.09,14.022,35.025,34.027,32]hexatriaconta-1(21),2,4(17),5,7(16),9,11,13,19,22(35),23,25(34),27,29,31-pentadecaene
CID 166981971
4-[4-[7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9,9-diheptylfluoren-2-yl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 89022451
4-(9,9-dihexylfluoren-2-yl)-2-phenyl-6-pyridin-2-ylpyridine
CID 67471921
3-(9,9-dimethyl-10-phenylacridin-3-yl)-N-(4-phenylphenyl)-N-(4-pyridin-2-ylphenyl)aniline
CID 121259013
9,9-dipropyl-3-pyridin-2-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
CID 160772927
5-bromo-2-(9,9-dioctylfluoren-2-yl)pyridine
CID 122679738
2-(7-nitro-9,9-dioctylfluoren-2-yl)-6-pyridin-2-ylpyridine
CID 102098891
4-[4-[(E)-2-(9,9-dihexylfluoren-2-yl)ethenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 102147982
9,9,10-triphenyl-N-(4-phenylphenyl)-N-(4-pyridin-2-ylphenyl)acridin-3-amine
CID 121259026
9,9-dioctylfluorene;2-methylpyrimidine
CID 174872093

Frequently Asked Questions

What is the IUPAC name of 1-bromo-9,9-dihexyl-10-(4-pyridin-2-ylphenyl)acridine?
The IUPAC name of 1-bromo-9,9-dihexyl-10-(4-pyridin-2-ylphenyl)acridine (CID 174799636) is 1-bromo-9,9-dihexyl-10-(4-pyridin-2-ylphenyl)acridine.
What is the SMILES notation for 1-bromo-9,9-dihexyl-10-(4-pyridin-2-ylphenyl)acridine?
The canonical SMILES for 1-bromo-9,9-dihexyl-10-(4-pyridin-2-ylphenyl)acridine is CCCCCCC1(CCCCCC)c2ccccc2N(c2ccc(-c3ccccn3)cc2)c2cccc(Br)c21.
What is the InChIKey of 1-bromo-9,9-dihexyl-10-(4-pyridin-2-ylphenyl)acridine?
The InChIKey is OZBPISNLKHWHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H41BrN2/c1-3-5-7-12-25-36(26-13-8-6-4-2)30-16-9-10-19-33(30)39(34-20-15-17-31(37)35(34)36)29-23-21-28(22-24-29)32-18-11-14-27-38-32/h9-11,14-24,27H,3-8,12-13,25-26H2,1-2H3.
What are the key properties of 1-bromo-9,9-dihexyl-10-(4-pyridin-2-ylphenyl)acridine?
1-bromo-9,9-dihexyl-10-(4-pyridin-2-ylphenyl)acridine has a molecular weight of 581.64 g/mol, XLogP of 11.52, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-9,9-dihexyl-10-(4-pyridin-2-ylphenyl)acridine is sourced from PubChem (CID 174799636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).