6-bromo-9-ethyl-1,4-dimethylcarbazole

C32H32Br2N2 — CID 139060494

IUPAC6-bromo-9-ethyl-1,4-dimethylcarbazole
SMILESCCn1c2ccc(Br)cc2c2c(C)ccc(C)c21.CCn1c2ccc(Br)cc2c2c(C)ccc(C)c21
InChIInChI=1S/2C16H16BrN/c2*1-4-18-14-8-7-12(17)9-13(14)15-10(2)5-6-11(3)16(15)18/h2*5-9H,4H2,1-3H3
InChIKeyRZUHFJDZBGLCSB-UHFFFAOYSA-N
MW604.43 g/mol
LogP10.39
Rot. Bonds2

About 6-bromo-9-ethyl-1,4-dimethylcarbazole

6-bromo-9-ethyl-1,4-dimethylcarbazole (PubChem CID 139060494) has the molecular formula C32H32Br2N2 and a molecular weight of 604.43 g/mol. Its IUPAC name is 6-bromo-9-ethyl-1,4-dimethylcarbazole.

Molecular Properties

Compound Name6-bromo-9-ethyl-1,4-dimethylcarbazole
PubChem CID139060494
Molecular FormulaC32H32Br2N2
Molecular Weight604.43 g/mol
Exact Mass602.09
IUPAC Name6-bromo-9-ethyl-1,4-dimethylcarbazole
SMILESCCn1c2ccc(Br)cc2c2c(C)ccc(C)c21.CCn1c2ccc(Br)cc2c2c(C)ccc(C)c21
InChIInChI=1S/2C16H16BrN/c2*1-4-18-14-8-7-12(17)9-13(14)15-10(2)5-6-11(3)16(15)18/h2*5-9H,4H2,1-3H3
InChIKeyRZUHFJDZBGLCSB-UHFFFAOYSA-N
XLogP10.39
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.43
LogP ≤ 510.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-9-ethyl-1,4-dimethylcarbazole?
The IUPAC name of 6-bromo-9-ethyl-1,4-dimethylcarbazole (CID 139060494) is 6-bromo-9-ethyl-1,4-dimethylcarbazole.
What is the SMILES notation for 6-bromo-9-ethyl-1,4-dimethylcarbazole?
The canonical SMILES for 6-bromo-9-ethyl-1,4-dimethylcarbazole is CCn1c2ccc(Br)cc2c2c(C)ccc(C)c21.CCn1c2ccc(Br)cc2c2c(C)ccc(C)c21.
What is the InChIKey of 6-bromo-9-ethyl-1,4-dimethylcarbazole?
The InChIKey is RZUHFJDZBGLCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H16BrN/c2*1-4-18-14-8-7-12(17)9-13(14)15-10(2)5-6-11(3)16(15)18/h2*5-9H,4H2,1-3H3.
What are the key properties of 6-bromo-9-ethyl-1,4-dimethylcarbazole?
6-bromo-9-ethyl-1,4-dimethylcarbazole has a molecular weight of 604.43 g/mol, XLogP of 10.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-9-ethyl-1,4-dimethylcarbazole is sourced from PubChem (CID 139060494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).