2-bromo-10-(4-bromophenyl)-9H-acridine-9-carbaldehyde

C20H13Br2NO — CID 174861746

IUPAC2-bromo-10-(4-bromophenyl)-9H-acridine-9-carbaldehyde
SMILESO=CC1c2ccccc2N(c2ccc(Br)cc2)c2ccc(Br)cc21
InChIInChI=1S/C20H13Br2NO/c21-13-5-8-15(9-6-13)23-19-4-2-1-3-16(19)18(12-24)17-11-14(22)7-10-20(17)23/h1-12,18H
InChIKeyGQJGFBSFGIHUFG-UHFFFAOYSA-N
MW443.14 g/mol
LogP6.33
Rot. Bonds2

About 2-bromo-10-(4-bromophenyl)-9H-acridine-9-carbaldehyde

2-bromo-10-(4-bromophenyl)-9H-acridine-9-carbaldehyde (PubChem CID 174861746) has the molecular formula C20H13Br2NO and a molecular weight of 443.14 g/mol. Its IUPAC name is 2-bromo-10-(4-bromophenyl)-9H-acridine-9-carbaldehyde.

Molecular Properties

Compound Name2-bromo-10-(4-bromophenyl)-9H-acridine-9-carbaldehyde
PubChem CID174861746
Molecular FormulaC20H13Br2NO
Molecular Weight443.14 g/mol
Exact Mass440.94
IUPAC Name2-bromo-10-(4-bromophenyl)-9H-acridine-9-carbaldehyde
SMILESO=CC1c2ccccc2N(c2ccc(Br)cc2)c2ccc(Br)cc21
InChIInChI=1S/C20H13Br2NO/c21-13-5-8-15(9-6-13)23-19-4-2-1-3-16(19)18(12-24)17-11-14(22)7-10-20(17)23/h1-12,18H
InChIKeyGQJGFBSFGIHUFG-UHFFFAOYSA-N
XLogP6.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.14
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-2-oxo-1-phenyl-3H-indole-3-carbaldehyde
CID 1070648
3-bromo-9H-fluorene-9-carbaldehyde
CID 174549083
2,7-dibromo-5,10-bis(4-bromophenyl)phenazine
CID 122390702
3,7-dibromo-10-(4-bromophenyl)phenothiazine
CID 638546
3-bromo-9H-xanthene-9-carbaldehyde
CID 174494099
(15S,19R)-17-(4-bromophenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 1106975
3-[(4-bromophenyl)methyl]-1-(3,5-dichlorophenyl)-3H-indol-2-one
CID 12043741
9H-fluorene-9-carbaldehyde
CID 11074281
4-bromo-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 118532953
1-(4-bromophenyl)indole-2,3-dione
CID 53359241
(9S,10R)-2,3-dimethyl-9,10-dihydroanthracene-9,10-dicarbaldehyde
CID 129386230
5-bromo-2-(2,5-dihydropyrrol-1-yl)benzaldehyde
CID 23091127

Frequently Asked Questions

What is the IUPAC name of 2-bromo-10-(4-bromophenyl)-9H-acridine-9-carbaldehyde?
The IUPAC name of 2-bromo-10-(4-bromophenyl)-9H-acridine-9-carbaldehyde (CID 174861746) is 2-bromo-10-(4-bromophenyl)-9H-acridine-9-carbaldehyde.
What is the SMILES notation for 2-bromo-10-(4-bromophenyl)-9H-acridine-9-carbaldehyde?
The canonical SMILES for 2-bromo-10-(4-bromophenyl)-9H-acridine-9-carbaldehyde is O=CC1c2ccccc2N(c2ccc(Br)cc2)c2ccc(Br)cc21.
What is the InChIKey of 2-bromo-10-(4-bromophenyl)-9H-acridine-9-carbaldehyde?
The InChIKey is GQJGFBSFGIHUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Br2NO/c21-13-5-8-15(9-6-13)23-19-4-2-1-3-16(19)18(12-24)17-11-14(22)7-10-20(17)23/h1-12,18H.
What are the key properties of 2-bromo-10-(4-bromophenyl)-9H-acridine-9-carbaldehyde?
2-bromo-10-(4-bromophenyl)-9H-acridine-9-carbaldehyde has a molecular weight of 443.14 g/mol, XLogP of 6.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-10-(4-bromophenyl)-9H-acridine-9-carbaldehyde is sourced from PubChem (CID 174861746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).