10-(4-bromophenyl)-3,6-dichloro-9,9-dimethylacridine

C21H16BrCl2N — CID 147186204

IUPAC10-(4-bromophenyl)-3,6-dichloro-9,9-dimethylacridine
SMILESCC1(C)c2ccc(Cl)cc2N(c2ccc(Br)cc2)c2cc(Cl)ccc21
InChIInChI=1S/C21H16BrCl2N/c1-21(2)17-9-5-14(23)11-19(17)25(16-7-3-13(22)4-8-16)20-12-15(24)6-10-18(20)21/h3-12H,1-2H3
InChIKeyCANQSSGKHLDHNI-UHFFFAOYSA-N
MW433.18 g/mol
LogP7.86
Rot. Bonds1

About 10-(4-bromophenyl)-3,6-dichloro-9,9-dimethylacridine

10-(4-bromophenyl)-3,6-dichloro-9,9-dimethylacridine (PubChem CID 147186204) has the molecular formula C21H16BrCl2N and a molecular weight of 433.18 g/mol. Its IUPAC name is 10-(4-bromophenyl)-3,6-dichloro-9,9-dimethylacridine.

Molecular Properties

Compound Name10-(4-bromophenyl)-3,6-dichloro-9,9-dimethylacridine
PubChem CID147186204
Molecular FormulaC21H16BrCl2N
Molecular Weight433.18 g/mol
Exact Mass430.98
IUPAC Name10-(4-bromophenyl)-3,6-dichloro-9,9-dimethylacridine
SMILESCC1(C)c2ccc(Cl)cc2N(c2ccc(Br)cc2)c2cc(Cl)ccc21
InChIInChI=1S/C21H16BrCl2N/c1-21(2)17-9-5-14(23)11-19(17)25(16-7-3-13(22)4-8-16)20-12-15(24)6-10-18(20)21/h3-12H,1-2H3
InChIKeyCANQSSGKHLDHNI-UHFFFAOYSA-N
XLogP7.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.18
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8-(4-bromophenyl)-14,14-dimethyl-1,8-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 141487982
2-bromo-6-chloro-9,9-dimethylxanthene
CID 163217021
2,7-dibromo-5,10-bis(4-bromophenyl)phenazine
CID 122390702
3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine
CID 58489784
2-bromo-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylacridine
CID 172991970
3,7-dibromo-10-(4-bromophenyl)phenothiazine
CID 638546
1-bromo-4-chlorobenzene
CID 7806
5-bromo-3-chloro-9,9-dimethylfluorene
CID 175668699
2-bromo-9,9-dimethyl-10-phenyl-7-triphenylen-2-ylacridine
CID 171571853
10-[4-[2,3-bis(3,4-difluorophenyl)-7-phenylpyrazino[2,3-b]pyrazin-6-yl]phenyl]-9,9-dimethylacridine
CID 129037633
3-bromo-6-chloro-9,9-difluorofluorene
CID 134271927
bis(2-bromophenyl)-[4-(9,9-dimethylacridin-10-yl)phenyl]phosphane
CID 139317565

Frequently Asked Questions

What is the IUPAC name of 10-(4-bromophenyl)-3,6-dichloro-9,9-dimethylacridine?
The IUPAC name of 10-(4-bromophenyl)-3,6-dichloro-9,9-dimethylacridine (CID 147186204) is 10-(4-bromophenyl)-3,6-dichloro-9,9-dimethylacridine.
What is the SMILES notation for 10-(4-bromophenyl)-3,6-dichloro-9,9-dimethylacridine?
The canonical SMILES for 10-(4-bromophenyl)-3,6-dichloro-9,9-dimethylacridine is CC1(C)c2ccc(Cl)cc2N(c2ccc(Br)cc2)c2cc(Cl)ccc21.
What is the InChIKey of 10-(4-bromophenyl)-3,6-dichloro-9,9-dimethylacridine?
The InChIKey is CANQSSGKHLDHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrCl2N/c1-21(2)17-9-5-14(23)11-19(17)25(16-7-3-13(22)4-8-16)20-12-15(24)6-10-18(20)21/h3-12H,1-2H3.
What are the key properties of 10-(4-bromophenyl)-3,6-dichloro-9,9-dimethylacridine?
10-(4-bromophenyl)-3,6-dichloro-9,9-dimethylacridine has a molecular weight of 433.18 g/mol, XLogP of 7.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-bromophenyl)-3,6-dichloro-9,9-dimethylacridine is sourced from PubChem (CID 147186204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).