3-bromo-9-butan-2-ylcarbazole

C16H16BrN — CID 176624773

IUPAC3-bromo-9-butan-2-ylcarbazole
SMILESCCC(C)n1c2ccccc2c2cc(Br)ccc21
InChIInChI=1S/C16H16BrN/c1-3-11(2)18-15-7-5-4-6-13(15)14-10-12(17)8-9-16(14)18/h4-11H,3H2,1-2H3
InChIKeyXZBPRIGLSZAFAU-UHFFFAOYSA-N
MW302.22 g/mol
LogP5.53
Rot. Bonds2

About 3-bromo-9-butan-2-ylcarbazole

3-bromo-9-butan-2-ylcarbazole (PubChem CID 176624773) has the molecular formula C16H16BrN and a molecular weight of 302.22 g/mol. Its IUPAC name is 3-bromo-9-butan-2-ylcarbazole.

Molecular Properties

Compound Name3-bromo-9-butan-2-ylcarbazole
PubChem CID176624773
Molecular FormulaC16H16BrN
Molecular Weight302.22 g/mol
Exact Mass301.05
IUPAC Name3-bromo-9-butan-2-ylcarbazole
SMILESCCC(C)n1c2ccccc2c2cc(Br)ccc21
InChIInChI=1S/C16H16BrN/c1-3-11(2)18-15-7-5-4-6-13(15)14-10-12(17)8-9-16(14)18/h4-11H,3H2,1-2H3
InChIKeyXZBPRIGLSZAFAU-UHFFFAOYSA-N
XLogP5.53
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.22
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

potassium;9-butan-2-ylcarbazole;methane;phosphanide;vanadium
CID 159100330
4-bromo-9-butan-2-ylcarbazole
CID 176624774
9-butan-2-yl-2-(trifluoromethyl)carbazole
CID 139447892
9-butan-2-yl-3-[3-(4-propan-2-ylphenyl)phenyl]carbazole
CID 167189366
CID 147627416
CID 147627416
1-butan-2-yl-4-oxoquinoline-2-carboxylic acid
CID 82244126
6-bromo-3-[[1-[(2R)-butan-2-yl]-2-methylindol-3-yl]methylideneamino]-2-propan-2-ylquinazolin-4-one
CID 126312043
6-bromo-2-[(2R)-butan-2-yl]-3-[[1-[(2R)-butan-2-yl]-2-methylindol-3-yl]methylideneamino]quinazolin-4-one
CID 126324586
4-(3-bromocarbazol-9-yl)butane-1,2-diol
CID 59926325
(2R)-1-(3-bromocarbazol-9-yl)-3-[4-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 92764423
1-(3-bromocarbazol-9-yl)-3-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]propan-2-ol
CID 3098890
potassium;9-butan-2-ylcarbazole;2-tert-butyl-9,10-dinaphthalen-2-ylanthracene;9,10-dinaphthalen-2-ylanthracene;phosphanide;vanadium
CID 157215207

Frequently Asked Questions

What is the IUPAC name of 3-bromo-9-butan-2-ylcarbazole?
The IUPAC name of 3-bromo-9-butan-2-ylcarbazole (CID 176624773) is 3-bromo-9-butan-2-ylcarbazole.
What is the SMILES notation for 3-bromo-9-butan-2-ylcarbazole?
The canonical SMILES for 3-bromo-9-butan-2-ylcarbazole is CCC(C)n1c2ccccc2c2cc(Br)ccc21.
What is the InChIKey of 3-bromo-9-butan-2-ylcarbazole?
The InChIKey is XZBPRIGLSZAFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN/c1-3-11(2)18-15-7-5-4-6-13(15)14-10-12(17)8-9-16(14)18/h4-11H,3H2,1-2H3.
What are the key properties of 3-bromo-9-butan-2-ylcarbazole?
3-bromo-9-butan-2-ylcarbazole has a molecular weight of 302.22 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-9-butan-2-ylcarbazole is sourced from PubChem (CID 176624773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).