2,7-dibromo-9-(2-ethylhexyl)carbazole

C20H23Br2N — CID 12070511

IUPAC2,7-dibromo-9-(2-ethylhexyl)carbazole
SMILESCCCCC(CC)Cn1c2cc(Br)ccc2c2ccc(Br)cc21
InChIInChI=1S/C20H23Br2N/c1-3-5-6-14(4-2)13-23-19-11-15(21)7-9-17(19)18-10-8-16(22)12-20(18)23/h7-12,14H,3-6,13H2,1-2H3
InChIKeyOLOMDFPWMJQODN-UHFFFAOYSA-N
MW437.22 g/mol
LogP7.54
Rot. Bonds6

About 2,7-dibromo-9-(2-ethylhexyl)carbazole

2,7-dibromo-9-(2-ethylhexyl)carbazole (PubChem CID 12070511) has the molecular formula C20H23Br2N and a molecular weight of 437.22 g/mol. Its IUPAC name is 2,7-dibromo-9-(2-ethylhexyl)carbazole.

Molecular Properties

Compound Name2,7-dibromo-9-(2-ethylhexyl)carbazole
PubChem CID12070511
Molecular FormulaC20H23Br2N
Molecular Weight437.22 g/mol
Exact Mass435.02
IUPAC Name2,7-dibromo-9-(2-ethylhexyl)carbazole
SMILESCCCCC(CC)Cn1c2cc(Br)ccc2c2ccc(Br)cc21
InChIInChI=1S/C20H23Br2N/c1-3-5-6-14(4-2)13-23-19-11-15(21)7-9-17(19)18-10-8-16(22)12-20(18)23/h7-12,14H,3-6,13H2,1-2H3
InChIKeyOLOMDFPWMJQODN-UHFFFAOYSA-N
XLogP7.54
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.22
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Mebhydrolin
CID 22530
N-ethyl carbazole
CID 6836
N-Vinylcarbazole
CID 15143
1-Methyl-2-phenylindole
CID 77095
N-Methylcarbazole
CID 15142
9H-Carbazole, 9-(1-methylethyl)-
CID 73873
2,7-Dibromocarbazole
CID 11151503
3,6-Dibromo-alpha-((dimethylamino)methyl)-9H-carbazole-9-ethanol
CID 2775510
6-Bromo-2-(1,1-dimethyl-2-propen-1-yl)-N-methyl-1H-indole-3-ethanamine hydrochloride
CID 56675778
9-(prop-2-yn-1-yl)-9H-carbazole
CID 284443
N-Butylcarbazole
CID 73872
9-Propyl-9H-carbazole
CID 289657

Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-9-(2-ethylhexyl)carbazole?
The IUPAC name of 2,7-dibromo-9-(2-ethylhexyl)carbazole (CID 12070511) is 2,7-dibromo-9-(2-ethylhexyl)carbazole.
What is the SMILES notation for 2,7-dibromo-9-(2-ethylhexyl)carbazole?
The canonical SMILES for 2,7-dibromo-9-(2-ethylhexyl)carbazole is CCCCC(CC)Cn1c2cc(Br)ccc2c2ccc(Br)cc21.
What is the InChIKey of 2,7-dibromo-9-(2-ethylhexyl)carbazole?
The InChIKey is OLOMDFPWMJQODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Br2N/c1-3-5-6-14(4-2)13-23-19-11-15(21)7-9-17(19)18-10-8-16(22)12-20(18)23/h7-12,14H,3-6,13H2,1-2H3.
What are the key properties of 2,7-dibromo-9-(2-ethylhexyl)carbazole?
2,7-dibromo-9-(2-ethylhexyl)carbazole has a molecular weight of 437.22 g/mol, XLogP of 7.54, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-9-(2-ethylhexyl)carbazole is sourced from PubChem (CID 12070511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).