4-[3-(4-bromophenyl)carbazol-9-yl]aniline

C24H17BrN2 — CID 59282033

IUPAC4-[3-(4-bromophenyl)carbazol-9-yl]aniline
SMILESNc1ccc(-n2c3ccccc3c3cc(-c4ccc(Br)cc4)ccc32)cc1
InChIInChI=1S/C24H17BrN2/c25-18-8-5-16(6-9-18)17-7-14-24-22(15-17)21-3-1-2-4-23(21)27(24)20-12-10-19(26)11-13-20/h1-15H,26H2
InChIKeyLTIKWUIRCAETRM-UHFFFAOYSA-N
MW413.32 g/mol
LogP6.80
Rot. Bonds2

About 4-[3-(4-bromophenyl)carbazol-9-yl]aniline

4-[3-(4-bromophenyl)carbazol-9-yl]aniline (PubChem CID 59282033) has the molecular formula C24H17BrN2 and a molecular weight of 413.32 g/mol. Its IUPAC name is 4-[3-(4-bromophenyl)carbazol-9-yl]aniline.

Molecular Properties

Compound Name4-[3-(4-bromophenyl)carbazol-9-yl]aniline
PubChem CID59282033
Molecular FormulaC24H17BrN2
Molecular Weight413.32 g/mol
Exact Mass412.06
IUPAC Name4-[3-(4-bromophenyl)carbazol-9-yl]aniline
SMILESNc1ccc(-n2c3ccccc3c3cc(-c4ccc(Br)cc4)ccc32)cc1
InChIInChI=1S/C24H17BrN2/c25-18-8-5-16(6-9-18)17-7-14-24-22(15-17)21-3-1-2-4-23(21)27(24)20-12-10-19(26)11-13-20/h1-15H,26H2
InChIKeyLTIKWUIRCAETRM-UHFFFAOYSA-N
XLogP6.80
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.32
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-bromo-9-(4-bromophenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 90347872
2-[4-[3-(4-aminophenyl)carbazol-9-yl]phenyl]benzene-1,4-diamine
CID 174796506
9-(4-bromophenyl)carbazole;N-(4-carbazol-9-ylphenyl)-4-(4-phenylphenyl)aniline;4-(4-phenylphenyl)aniline
CID 158400459
1-bromo-4-phenylbenzene;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 161278194
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-(4-bromophenyl)-9-[4-[4-[[4-[[4-[4-[3-(4-bromophenyl)carbazol-9-yl]phenyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]phenyl]carbazole
CID 163550993
3-bromo-9-phenylcarbazole;3-(4-bromophenyl)-9-phenylcarbazole;deuterium monohydride;1,4-dibromobenzene;methane;hydrofluoride
CID 159380291
3-[3-(4-bromophenyl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 90215090
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-bromophenyl)carbazol-9-yl]aniline?
The IUPAC name of 4-[3-(4-bromophenyl)carbazol-9-yl]aniline (CID 59282033) is 4-[3-(4-bromophenyl)carbazol-9-yl]aniline.
What is the SMILES notation for 4-[3-(4-bromophenyl)carbazol-9-yl]aniline?
The canonical SMILES for 4-[3-(4-bromophenyl)carbazol-9-yl]aniline is Nc1ccc(-n2c3ccccc3c3cc(-c4ccc(Br)cc4)ccc32)cc1.
What is the InChIKey of 4-[3-(4-bromophenyl)carbazol-9-yl]aniline?
The InChIKey is LTIKWUIRCAETRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrN2/c25-18-8-5-16(6-9-18)17-7-14-24-22(15-17)21-3-1-2-4-23(21)27(24)20-12-10-19(26)11-13-20/h1-15H,26H2.
What are the key properties of 4-[3-(4-bromophenyl)carbazol-9-yl]aniline?
4-[3-(4-bromophenyl)carbazol-9-yl]aniline has a molecular weight of 413.32 g/mol, XLogP of 6.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-bromophenyl)carbazol-9-yl]aniline is sourced from PubChem (CID 59282033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).