4,5-bis(4-bromophenyl)acridine

C25H15Br2N — CID 619239

IUPAC4,5-bis(4-bromophenyl)acridine
SMILESBrc1ccc(-c2cccc3cc4cccc(-c5ccc(Br)cc5)c4nc23)cc1
InChIInChI=1S/C25H15Br2N/c26-20-11-7-16(8-12-20)22-5-1-3-18-15-19-4-2-6-23(25(19)28-24(18)22)17-9-13-21(27)14-10-17/h1-15H
InChIKeyFTPVHUMRBLLJBK-UHFFFAOYSA-N
MW489.21 g/mol
LogP8.25
Rot. Bonds2

About 4,5-bis(4-bromophenyl)acridine

4,5-bis(4-bromophenyl)acridine (PubChem CID 619239) has the molecular formula C25H15Br2N and a molecular weight of 489.21 g/mol. Its IUPAC name is 4,5-bis(4-bromophenyl)acridine.

Molecular Properties

Compound Name4,5-bis(4-bromophenyl)acridine
PubChem CID619239
Molecular FormulaC25H15Br2N
Molecular Weight489.21 g/mol
Exact Mass486.96
IUPAC Name4,5-bis(4-bromophenyl)acridine
SMILESBrc1ccc(-c2cccc3cc4cccc(-c5ccc(Br)cc5)c4nc23)cc1
InChIInChI=1S/C25H15Br2N/c26-20-11-7-16(8-12-20)22-5-1-3-18-15-19-4-2-6-23(25(19)28-24(18)22)17-9-13-21(27)14-10-17/h1-15H
InChIKeyFTPVHUMRBLLJBK-UHFFFAOYSA-N
XLogP8.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.21
LogP ≤ 58.25
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

4-(4-bromophenyl)acridine
CID 23088551
1-(4-bromophenyl)anthracene
CID 141156344
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]acridine
CID 134169245
2-[2-(4-bromophenyl)phenyl]naphthalene
CID 134433047
2-(4-bromophenyl)-4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 142724155
4-(4-bromophenyl)-1-methylbenzimidazol-2-amine
CID 141059444
4-(4-bromophenyl)-6-naphthalen-1-yl-2-phenylpyrimidine
CID 58028637
2-(4-bromophenyl)-4-naphthalen-1-ylbenzo[h]quinazoline
CID 118529368
4-bromo-1,2-bis(4-bromophenyl)benzene
CID 54378809
1-bromo-4-(2-chlorophenyl)benzene
CID 12939408
1-bromo-4-[4-[4-(4-bromophenyl)phenyl]phenyl]benzene
CID 59775505
3-(4-bromophenyl)-2-fluoropyridine
CID 66862736

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-bromophenyl)acridine?
The IUPAC name of 4,5-bis(4-bromophenyl)acridine (CID 619239) is 4,5-bis(4-bromophenyl)acridine.
What is the SMILES notation for 4,5-bis(4-bromophenyl)acridine?
The canonical SMILES for 4,5-bis(4-bromophenyl)acridine is Brc1ccc(-c2cccc3cc4cccc(-c5ccc(Br)cc5)c4nc23)cc1.
What is the InChIKey of 4,5-bis(4-bromophenyl)acridine?
The InChIKey is FTPVHUMRBLLJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15Br2N/c26-20-11-7-16(8-12-20)22-5-1-3-18-15-19-4-2-6-23(25(19)28-24(18)22)17-9-13-21(27)14-10-17/h1-15H.
What are the key properties of 4,5-bis(4-bromophenyl)acridine?
4,5-bis(4-bromophenyl)acridine has a molecular weight of 489.21 g/mol, XLogP of 8.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-bromophenyl)acridine is sourced from PubChem (CID 619239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).