6-bromo-2-phenyl-9H-carbazole

C18H12BrN — CID 118493011

IUPAC6-bromo-2-phenyl-9H-carbazole
SMILESBrc1ccc2[nH]c3cc(-c4ccccc4)ccc3c2c1
InChIInChI=1S/C18H12BrN/c19-14-7-9-17-16(11-14)15-8-6-13(10-18(15)20-17)12-4-2-1-3-5-12/h1-11,20H
InChIKeyQBSDVNGUVBKKSP-UHFFFAOYSA-N
MW322.21 g/mol
LogP5.75
Rot. Bonds1

About 6-bromo-2-phenyl-9H-carbazole

6-bromo-2-phenyl-9H-carbazole (PubChem CID 118493011) has the molecular formula C18H12BrN and a molecular weight of 322.21 g/mol. Its IUPAC name is 6-bromo-2-phenyl-9H-carbazole.

Molecular Properties

Compound Name6-bromo-2-phenyl-9H-carbazole
PubChem CID118493011
Molecular FormulaC18H12BrN
Molecular Weight322.21 g/mol
Exact Mass321.02
IUPAC Name6-bromo-2-phenyl-9H-carbazole
SMILESBrc1ccc2[nH]c3cc(-c4ccccc4)ccc3c2c1
InChIInChI=1S/C18H12BrN/c19-14-7-9-17-16(11-14)15-8-6-13(10-18(15)20-17)12-4-2-1-3-5-12/h1-11,20H
InChIKeyQBSDVNGUVBKKSP-UHFFFAOYSA-N
XLogP5.75
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.21
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-phenyl-9H-carbazole?
The IUPAC name of 6-bromo-2-phenyl-9H-carbazole (CID 118493011) is 6-bromo-2-phenyl-9H-carbazole.
What is the SMILES notation for 6-bromo-2-phenyl-9H-carbazole?
The canonical SMILES for 6-bromo-2-phenyl-9H-carbazole is Brc1ccc2[nH]c3cc(-c4ccccc4)ccc3c2c1.
What is the InChIKey of 6-bromo-2-phenyl-9H-carbazole?
The InChIKey is QBSDVNGUVBKKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrN/c19-14-7-9-17-16(11-14)15-8-6-13(10-18(15)20-17)12-4-2-1-3-5-12/h1-11,20H.
What are the key properties of 6-bromo-2-phenyl-9H-carbazole?
6-bromo-2-phenyl-9H-carbazole has a molecular weight of 322.21 g/mol, XLogP of 5.75, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-phenyl-9H-carbazole is sourced from PubChem (CID 118493011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).