1-bromo-9-phenylcarbazole

C18H12BrN — CID 23031043

IUPAC1-bromo-9-phenylcarbazole
SMILESBrc1cccc2c3ccccc3n(-c3ccccc3)c12
InChIInChI=1S/C18H12BrN/c19-16-11-6-10-15-14-9-4-5-12-17(14)20(18(15)16)13-7-2-1-3-8-13/h1-12H
InChIKeyAELBZZMQJAJEJW-UHFFFAOYSA-N
MW322.21 g/mol
LogP5.55
Rot. Bonds1

About 1-bromo-9-phenylcarbazole

1-bromo-9-phenylcarbazole (PubChem CID 23031043) has the molecular formula C18H12BrN and a molecular weight of 322.21 g/mol. Its IUPAC name is 1-bromo-9-phenylcarbazole.

Molecular Properties

Compound Name1-bromo-9-phenylcarbazole
PubChem CID23031043
Molecular FormulaC18H12BrN
Molecular Weight322.21 g/mol
Exact Mass321.02
IUPAC Name1-bromo-9-phenylcarbazole
SMILESBrc1cccc2c3ccccc3n(-c3ccccc3)c12
InChIInChI=1S/C18H12BrN/c19-16-11-6-10-15-14-9-4-5-12-17(14)20(18(15)16)13-7-2-1-3-8-13/h1-12H
InChIKeyAELBZZMQJAJEJW-UHFFFAOYSA-N
XLogP5.55
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.21
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-9-phenylcarbazole?
The IUPAC name of 1-bromo-9-phenylcarbazole (CID 23031043) is 1-bromo-9-phenylcarbazole.
What is the SMILES notation for 1-bromo-9-phenylcarbazole?
The canonical SMILES for 1-bromo-9-phenylcarbazole is Brc1cccc2c3ccccc3n(-c3ccccc3)c12.
What is the InChIKey of 1-bromo-9-phenylcarbazole?
The InChIKey is AELBZZMQJAJEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrN/c19-16-11-6-10-15-14-9-4-5-12-17(14)20(18(15)16)13-7-2-1-3-8-13/h1-12H.
What are the key properties of 1-bromo-9-phenylcarbazole?
1-bromo-9-phenylcarbazole has a molecular weight of 322.21 g/mol, XLogP of 5.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-9-phenylcarbazole is sourced from PubChem (CID 23031043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).