2-(6-bromo-9-hexylcarbazol-1-yl)aniline

C24H25BrN2 — CID 174702523

IUPAC2-(6-bromo-9-hexylcarbazol-1-yl)aniline
SMILESCCCCCCn1c2ccc(Br)cc2c2cccc(-c3ccccc3N)c21
InChIInChI=1S/C24H25BrN2/c1-2-3-4-7-15-27-23-14-13-17(25)16-21(23)20-11-8-10-19(24(20)27)18-9-5-6-12-22(18)26/h5-6,8-14,16H,2-4,7,15,26H2,1H3
InChIKeyDCRAANLRTPLUSX-UHFFFAOYSA-N
MW421.38 g/mol
LogP7.39
Rot. Bonds6

About 2-(6-bromo-9-hexylcarbazol-1-yl)aniline

2-(6-bromo-9-hexylcarbazol-1-yl)aniline (PubChem CID 174702523) has the molecular formula C24H25BrN2 and a molecular weight of 421.38 g/mol. Its IUPAC name is 2-(6-bromo-9-hexylcarbazol-1-yl)aniline.

Molecular Properties

Compound Name2-(6-bromo-9-hexylcarbazol-1-yl)aniline
PubChem CID174702523
Molecular FormulaC24H25BrN2
Molecular Weight421.38 g/mol
Exact Mass420.12
IUPAC Name2-(6-bromo-9-hexylcarbazol-1-yl)aniline
SMILESCCCCCCn1c2ccc(Br)cc2c2cccc(-c3ccccc3N)c21
InChIInChI=1S/C24H25BrN2/c1-2-3-4-7-15-27-23-14-13-17(25)16-21(23)20-11-8-10-19(24(20)27)18-9-5-6-12-22(18)26/h5-6,8-14,16H,2-4,7,15,26H2,1H3
InChIKeyDCRAANLRTPLUSX-UHFFFAOYSA-N
XLogP7.39
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.38
LogP ≤ 57.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(6-bromo-9-butylcarbazol-1-yl)aniline
CID 174689611
2,8-dibromo-5,11-dihexyl-6,12-diphenylindolo[3,2-b]carbazole
CID 56851506
1-bromo-9-heptadecylcarbazole
CID 174836685
2-(9-decylcarbazol-1-yl)benzene-1,4-diol
CID 68603527
6-bromo-9-ethyl-1-phenylcarbazole
CID 174702524
3,11,19-trioctyl-3,11,19-triazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
CID 132584282
3-bromo-6-[(E)-2-(6-bromo-9-hexylcarbazol-3-yl)ethenyl]-9-hexylcarbazole
CID 139088492
9-octylcarbazol-1-ol
CID 160567195
1,2-dibromo-9-hexylcarbazole
CID 141427471
2,7-dibromo-9-tetracontylcarbazole
CID 141357666
9-docosylcarbazole
CID 10528568
9-hexadecylcarbazole
CID 4166588

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-9-hexylcarbazol-1-yl)aniline?
The IUPAC name of 2-(6-bromo-9-hexylcarbazol-1-yl)aniline (CID 174702523) is 2-(6-bromo-9-hexylcarbazol-1-yl)aniline.
What is the SMILES notation for 2-(6-bromo-9-hexylcarbazol-1-yl)aniline?
The canonical SMILES for 2-(6-bromo-9-hexylcarbazol-1-yl)aniline is CCCCCCn1c2ccc(Br)cc2c2cccc(-c3ccccc3N)c21.
What is the InChIKey of 2-(6-bromo-9-hexylcarbazol-1-yl)aniline?
The InChIKey is DCRAANLRTPLUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrN2/c1-2-3-4-7-15-27-23-14-13-17(25)16-21(23)20-11-8-10-19(24(20)27)18-9-5-6-12-22(18)26/h5-6,8-14,16H,2-4,7,15,26H2,1H3.
What are the key properties of 2-(6-bromo-9-hexylcarbazol-1-yl)aniline?
2-(6-bromo-9-hexylcarbazol-1-yl)aniline has a molecular weight of 421.38 g/mol, XLogP of 7.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-9-hexylcarbazol-1-yl)aniline is sourced from PubChem (CID 174702523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).