3-bromo-9-naphthalen-1-ylcarbazole

C22H14BrN — CID 59561149

IUPAC3-bromo-9-naphthalen-1-ylcarbazole
SMILESBrc1ccc2c(c1)c1ccccc1n2-c1cccc2ccccc12
InChIInChI=1S/C22H14BrN/c23-16-12-13-22-19(14-16)18-9-3-4-10-21(18)24(22)20-11-5-7-15-6-1-2-8-17(15)20/h1-14H
InChIKeyQTWVKYHIDBPQIL-UHFFFAOYSA-N
MW372.27 g/mol
LogP6.70
Rot. Bonds1

About 3-bromo-9-naphthalen-1-ylcarbazole

3-bromo-9-naphthalen-1-ylcarbazole (PubChem CID 59561149) has the molecular formula C22H14BrN and a molecular weight of 372.27 g/mol. Its IUPAC name is 3-bromo-9-naphthalen-1-ylcarbazole.

Molecular Properties

Compound Name3-bromo-9-naphthalen-1-ylcarbazole
PubChem CID59561149
Molecular FormulaC22H14BrN
Molecular Weight372.27 g/mol
Exact Mass371.03
IUPAC Name3-bromo-9-naphthalen-1-ylcarbazole
SMILESBrc1ccc2c(c1)c1ccccc1n2-c1cccc2ccccc12
InChIInChI=1S/C22H14BrN/c23-16-12-13-22-19(14-16)18-9-3-4-10-21(18)24(22)20-11-5-7-15-6-1-2-8-17(15)20/h1-14H
InChIKeyQTWVKYHIDBPQIL-UHFFFAOYSA-N
XLogP6.70
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.27
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-9-naphthalen-1-ylcarbazole?
The IUPAC name of 3-bromo-9-naphthalen-1-ylcarbazole (CID 59561149) is 3-bromo-9-naphthalen-1-ylcarbazole.
What is the SMILES notation for 3-bromo-9-naphthalen-1-ylcarbazole?
The canonical SMILES for 3-bromo-9-naphthalen-1-ylcarbazole is Brc1ccc2c(c1)c1ccccc1n2-c1cccc2ccccc12.
What is the InChIKey of 3-bromo-9-naphthalen-1-ylcarbazole?
The InChIKey is QTWVKYHIDBPQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14BrN/c23-16-12-13-22-19(14-16)18-9-3-4-10-21(18)24(22)20-11-5-7-15-6-1-2-8-17(15)20/h1-14H.
What are the key properties of 3-bromo-9-naphthalen-1-ylcarbazole?
3-bromo-9-naphthalen-1-ylcarbazole has a molecular weight of 372.27 g/mol, XLogP of 6.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-9-naphthalen-1-ylcarbazole is sourced from PubChem (CID 59561149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).