9-(10-bromoanthracen-9-yl)carbazole

C26H16BrN — CID 638581

IUPAC9-(10-bromoanthracen-9-yl)carbazole
SMILESBrc1c2ccccc2c(-n2c3ccccc3c3ccccc32)c2ccccc12
InChIInChI=1S/C26H16BrN/c27-25-19-11-1-3-13-21(19)26(22-14-4-2-12-20(22)25)28-23-15-7-5-9-17(23)18-10-6-8-16-24(18)28/h1-16H
InChIKeyMEKZGWPFDKLVFC-UHFFFAOYSA-N
MW422.33 g/mol
LogP7.85
Rot. Bonds1

About 9-(10-bromoanthracen-9-yl)carbazole

9-(10-bromoanthracen-9-yl)carbazole (PubChem CID 638581) has the molecular formula C26H16BrN and a molecular weight of 422.33 g/mol. Its IUPAC name is 9-(10-bromoanthracen-9-yl)carbazole.

Molecular Properties

Compound Name9-(10-bromoanthracen-9-yl)carbazole
PubChem CID638581
Molecular FormulaC26H16BrN
Molecular Weight422.33 g/mol
Exact Mass421.05
IUPAC Name9-(10-bromoanthracen-9-yl)carbazole
SMILESBrc1c2ccccc2c(-n2c3ccccc3c3ccccc32)c2ccccc12
InChIInChI=1S/C26H16BrN/c27-25-19-11-1-3-13-21(19)26(22-14-4-2-12-20(22)25)28-23-15-7-5-9-17(23)18-10-6-8-16-24(18)28/h1-16H
InChIKeyMEKZGWPFDKLVFC-UHFFFAOYSA-N
XLogP7.85
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.33
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-(10-bromoanthracen-9-yl)carbazole?
The IUPAC name of 9-(10-bromoanthracen-9-yl)carbazole (CID 638581) is 9-(10-bromoanthracen-9-yl)carbazole.
What is the SMILES notation for 9-(10-bromoanthracen-9-yl)carbazole?
The canonical SMILES for 9-(10-bromoanthracen-9-yl)carbazole is Brc1c2ccccc2c(-n2c3ccccc3c3ccccc32)c2ccccc12.
What is the InChIKey of 9-(10-bromoanthracen-9-yl)carbazole?
The InChIKey is MEKZGWPFDKLVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16BrN/c27-25-19-11-1-3-13-21(19)26(22-14-4-2-12-20(22)25)28-23-15-7-5-9-17(23)18-10-6-8-16-24(18)28/h1-16H.
What are the key properties of 9-(10-bromoanthracen-9-yl)carbazole?
9-(10-bromoanthracen-9-yl)carbazole has a molecular weight of 422.33 g/mol, XLogP of 7.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(10-bromoanthracen-9-yl)carbazole is sourced from PubChem (CID 638581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).