9-bromo-10-phenylanthracene

C20H13Br — CID 4155836

IUPAC9-bromo-10-phenylanthracene
SMILESBrc1c2ccccc2c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C20H13Br/c21-20-17-12-6-4-10-15(17)19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)20/h1-13H
InChIKeyWHGGVVHVBFMGSG-UHFFFAOYSA-N
MW333.23 g/mol
LogP6.42
Rot. Bonds1

About 9-bromo-10-phenylanthracene

9-bromo-10-phenylanthracene (PubChem CID 4155836) has the molecular formula C20H13Br and a molecular weight of 333.23 g/mol. Its IUPAC name is 9-bromo-10-phenylanthracene.

Molecular Properties

Compound Name9-bromo-10-phenylanthracene
PubChem CID4155836
Molecular FormulaC20H13Br
Molecular Weight333.23 g/mol
Exact Mass332.02
IUPAC Name9-bromo-10-phenylanthracene
SMILESBrc1c2ccccc2c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C20H13Br/c21-20-17-12-6-4-10-15(17)19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)20/h1-13H
InChIKeyWHGGVVHVBFMGSG-UHFFFAOYSA-N
XLogP6.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.23
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-bromo-10-phenylanthracene?
The IUPAC name of 9-bromo-10-phenylanthracene (CID 4155836) is 9-bromo-10-phenylanthracene.
What is the SMILES notation for 9-bromo-10-phenylanthracene?
The canonical SMILES for 9-bromo-10-phenylanthracene is Brc1c2ccccc2c(-c2ccccc2)c2ccccc12.
What is the InChIKey of 9-bromo-10-phenylanthracene?
The InChIKey is WHGGVVHVBFMGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Br/c21-20-17-12-6-4-10-15(17)19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)20/h1-13H.
What are the key properties of 9-bromo-10-phenylanthracene?
9-bromo-10-phenylanthracene has a molecular weight of 333.23 g/mol, XLogP of 6.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-10-phenylanthracene is sourced from PubChem (CID 4155836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).