6,7-bis(4-bromophenyl)benzo[a]quinolizin-5-ium

C25H16Br2N+ — CID 102219187

IUPAC6,7-bis(4-bromophenyl)benzo[a]quinolizin-5-ium
SMILESBrc1ccc(-c2c(-c3ccc(Br)cc3)[n+]3ccccc3c3ccccc23)cc1
InChIInChI=1S/C25H16Br2N/c26-19-12-8-17(9-13-19)24-22-6-2-1-5-21(22)23-7-3-4-16-28(23)25(24)18-10-14-20(27)15-11-18/h1-16H/q+1
InChIKeyRKIHBRGTQOVKHO-UHFFFAOYSA-N
MW490.22 g/mol
LogP7.44
Rot. Bonds2

About 6,7-bis(4-bromophenyl)benzo[a]quinolizin-5-ium

6,7-bis(4-bromophenyl)benzo[a]quinolizin-5-ium (PubChem CID 102219187) has the molecular formula C25H16Br2N+ and a molecular weight of 490.22 g/mol. Its IUPAC name is 6,7-bis(4-bromophenyl)benzo[a]quinolizin-5-ium.

Molecular Properties

Compound Name6,7-bis(4-bromophenyl)benzo[a]quinolizin-5-ium
PubChem CID102219187
Molecular FormulaC25H16Br2N+
Molecular Weight490.22 g/mol
Exact Mass487.96
IUPAC Name6,7-bis(4-bromophenyl)benzo[a]quinolizin-5-ium
SMILESBrc1ccc(-c2c(-c3ccc(Br)cc3)[n+]3ccccc3c3ccccc23)cc1
InChIInChI=1S/C25H16Br2N/c26-19-12-8-17(9-13-19)24-22-6-2-1-5-21(22)23-7-3-4-16-28(23)25(24)18-10-14-20(27)15-11-18/h1-16H/q+1
InChIKeyRKIHBRGTQOVKHO-UHFFFAOYSA-N
XLogP7.44
TPSA4.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.22
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_B(2)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

9-fluoro-6,7-diphenylbenzo[a]quinolizin-5-ium
CID 71813207
9,10-bis[4-[2-(4-bromophenyl)ethenyl]phenyl]anthracene
CID 142672624
9-(4-bromophenyl)-10-methoxyanthracene
CID 178067918
10-(4-bromophenyl)-2,9-diphenylanthracene
CID 130365947
2-(4-bromophenyl)-1,4-diphenylnaphthalene
CID 141481933
2,3-bis(4-bromophenyl)-1,4-diphenyltriphenylene
CID 142683584
tetrakis(1-bromo-4-(4-bromophenyl)benzene) disulfide
CID 173034951
2-bromo-9,10-diphenylanthracene
CID 22247163
4-(4-bromophenyl)-3-chloro-2-methylnaphthalen-1-ol
CID 86185452
9-(7-bromonaphthalen-2-yl)-10-phenylanthracene
CID 134391865
9-(4-bromophenyl)-1,5-dichloro-10-phenylanthracene
CID 160714288
1-bromo-4-[4-[4-(4-bromophenyl)phenyl]phenyl]benzene
CID 59775505

Frequently Asked Questions

What is the IUPAC name of 6,7-bis(4-bromophenyl)benzo[a]quinolizin-5-ium?
The IUPAC name of 6,7-bis(4-bromophenyl)benzo[a]quinolizin-5-ium (CID 102219187) is 6,7-bis(4-bromophenyl)benzo[a]quinolizin-5-ium.
What is the SMILES notation for 6,7-bis(4-bromophenyl)benzo[a]quinolizin-5-ium?
The canonical SMILES for 6,7-bis(4-bromophenyl)benzo[a]quinolizin-5-ium is Brc1ccc(-c2c(-c3ccc(Br)cc3)[n+]3ccccc3c3ccccc23)cc1.
What is the InChIKey of 6,7-bis(4-bromophenyl)benzo[a]quinolizin-5-ium?
The InChIKey is RKIHBRGTQOVKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16Br2N/c26-19-12-8-17(9-13-19)24-22-6-2-1-5-21(22)23-7-3-4-16-28(23)25(24)18-10-14-20(27)15-11-18/h1-16H/q+1.
What are the key properties of 6,7-bis(4-bromophenyl)benzo[a]quinolizin-5-ium?
6,7-bis(4-bromophenyl)benzo[a]quinolizin-5-ium has a molecular weight of 490.22 g/mol, XLogP of 7.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-bis(4-bromophenyl)benzo[a]quinolizin-5-ium is sourced from PubChem (CID 102219187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).