2,3,6,7-tetrabromo-9-butylcarbazole

C16H13Br4N — CID 123674522

IUPAC2,3,6,7-tetrabromo-9-butylcarbazole
SMILESCCCCn1c2cc(Br)c(Br)cc2c2cc(Br)c(Br)cc21
InChIInChI=1S/C16H13Br4N/c1-2-3-4-21-15-7-13(19)11(17)5-9(15)10-6-12(18)14(20)8-16(10)21/h5-8H,2-4H2,1H3
InChIKeyFYEPKSXMKICFCG-UHFFFAOYSA-N
MW538.90 g/mol
LogP7.64
Rot. Bonds3

About 2,3,6,7-tetrabromo-9-butylcarbazole

2,3,6,7-tetrabromo-9-butylcarbazole (PubChem CID 123674522) has the molecular formula C16H13Br4N and a molecular weight of 538.90 g/mol. Its IUPAC name is 2,3,6,7-tetrabromo-9-butylcarbazole.

Molecular Properties

Compound Name2,3,6,7-tetrabromo-9-butylcarbazole
PubChem CID123674522
Molecular FormulaC16H13Br4N
Molecular Weight538.90 g/mol
Exact Mass534.78
IUPAC Name2,3,6,7-tetrabromo-9-butylcarbazole
SMILESCCCCn1c2cc(Br)c(Br)cc2c2cc(Br)c(Br)cc21
InChIInChI=1S/C16H13Br4N/c1-2-3-4-21-15-7-13(19)11(17)5-9(15)10-6-12(18)14(20)8-16(10)21/h5-8H,2-4H2,1H3
InChIKeyFYEPKSXMKICFCG-UHFFFAOYSA-N
XLogP7.64
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.90
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-butyl-2,7-dimethylcarbazole
CID 129212268
2,7-dibromo-9-tetracontylcarbazole
CID 141357666
2,7-dibromo-10-butylacridin-9-one
CID 86036844
5,6-dibromo-2-butylisoindole-1,3-dione
CID 167440985
2,7-dibromo-9-propylcarbazole;propane
CID 144652939
(1S)-1-[9-butyl-6-[(1R)-1-hydroxyethyl]carbazol-3-yl]ethanol
CID 95909381
(1R)-1-[9-butyl-6-[(1R)-1-hydroxyethyl]carbazol-3-yl]ethanol
CID 95909380
2,7-dibromo-9-(2-butylheptyl)-3,6-diiodocarbazole
CID 141263543
9-butylcarbazol-3-ol
CID 140908966
N-(7-bromo-9-butylcarbazol-2-yl)-1,1-diphenylmethanimine
CID 134281226
3-bromo-6-[(E)-2-(6-bromo-9-hexylcarbazol-3-yl)ethenyl]-9-hexylcarbazole
CID 139088492
9-docosylcarbazole
CID 10528568

Frequently Asked Questions

What is the IUPAC name of 2,3,6,7-tetrabromo-9-butylcarbazole?
The IUPAC name of 2,3,6,7-tetrabromo-9-butylcarbazole (CID 123674522) is 2,3,6,7-tetrabromo-9-butylcarbazole.
What is the SMILES notation for 2,3,6,7-tetrabromo-9-butylcarbazole?
The canonical SMILES for 2,3,6,7-tetrabromo-9-butylcarbazole is CCCCn1c2cc(Br)c(Br)cc2c2cc(Br)c(Br)cc21.
What is the InChIKey of 2,3,6,7-tetrabromo-9-butylcarbazole?
The InChIKey is FYEPKSXMKICFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Br4N/c1-2-3-4-21-15-7-13(19)11(17)5-9(15)10-6-12(18)14(20)8-16(10)21/h5-8H,2-4H2,1H3.
What are the key properties of 2,3,6,7-tetrabromo-9-butylcarbazole?
2,3,6,7-tetrabromo-9-butylcarbazole has a molecular weight of 538.90 g/mol, XLogP of 7.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7-tetrabromo-9-butylcarbazole is sourced from PubChem (CID 123674522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).