9-benzyl-2-bromocarbazole

C19H14BrN — CID 123133636

IUPAC9-benzyl-2-bromocarbazole
SMILESBrc1ccc2c3ccccc3n(Cc3ccccc3)c2c1
InChIInChI=1S/C19H14BrN/c20-15-10-11-17-16-8-4-5-9-18(16)21(19(17)12-15)13-14-6-2-1-3-7-14/h1-12H,13H2
InChIKeyBFHNUHBRWXASFQ-UHFFFAOYSA-N
MW336.23 g/mol
LogP5.61
Rot. Bonds2

About 9-benzyl-2-bromocarbazole

9-benzyl-2-bromocarbazole (PubChem CID 123133636) has the molecular formula C19H14BrN and a molecular weight of 336.23 g/mol. Its IUPAC name is 9-benzyl-2-bromocarbazole.

Molecular Properties

Compound Name9-benzyl-2-bromocarbazole
PubChem CID123133636
Molecular FormulaC19H14BrN
Molecular Weight336.23 g/mol
Exact Mass335.03
IUPAC Name9-benzyl-2-bromocarbazole
SMILESBrc1ccc2c3ccccc3n(Cc3ccccc3)c2c1
InChIInChI=1S/C19H14BrN/c20-15-10-11-17-16-8-4-5-9-18(16)21(19(17)12-15)13-14-6-2-1-3-7-14/h1-12H,13H2
InChIKeyBFHNUHBRWXASFQ-UHFFFAOYSA-N
XLogP5.61
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.23
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-benzyl-2-bromocarbazole?
The IUPAC name of 9-benzyl-2-bromocarbazole (CID 123133636) is 9-benzyl-2-bromocarbazole.
What is the SMILES notation for 9-benzyl-2-bromocarbazole?
The canonical SMILES for 9-benzyl-2-bromocarbazole is Brc1ccc2c3ccccc3n(Cc3ccccc3)c2c1.
What is the InChIKey of 9-benzyl-2-bromocarbazole?
The InChIKey is BFHNUHBRWXASFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN/c20-15-10-11-17-16-8-4-5-9-18(16)21(19(17)12-15)13-14-6-2-1-3-7-14/h1-12H,13H2.
What are the key properties of 9-benzyl-2-bromocarbazole?
9-benzyl-2-bromocarbazole has a molecular weight of 336.23 g/mol, XLogP of 5.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-2-bromocarbazole is sourced from PubChem (CID 123133636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).