9-bromo-10-(4-methylphenyl)phenanthrene

C21H15Br — CID 155481150

IUPAC9-bromo-10-(4-methylphenyl)phenanthrene
SMILESCc1ccc(-c2c(Br)c3ccccc3c3ccccc23)cc1
InChIInChI=1S/C21H15Br/c1-14-10-12-15(13-11-14)20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)21(20)22/h2-13H,1H3
InChIKeyBYZPVTFOJZBCHJ-UHFFFAOYSA-N
MW347.26 g/mol
LogP6.73
Rot. Bonds1

About 9-bromo-10-(4-methylphenyl)phenanthrene

9-bromo-10-(4-methylphenyl)phenanthrene (PubChem CID 155481150) has the molecular formula C21H15Br and a molecular weight of 347.26 g/mol. Its IUPAC name is 9-bromo-10-(4-methylphenyl)phenanthrene.

Molecular Properties

Compound Name9-bromo-10-(4-methylphenyl)phenanthrene
PubChem CID155481150
Molecular FormulaC21H15Br
Molecular Weight347.26 g/mol
Exact Mass346.04
IUPAC Name9-bromo-10-(4-methylphenyl)phenanthrene
SMILESCc1ccc(-c2c(Br)c3ccccc3c3ccccc23)cc1
InChIInChI=1S/C21H15Br/c1-14-10-12-15(13-11-14)20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)21(20)22/h2-13H,1H3
InChIKeyBYZPVTFOJZBCHJ-UHFFFAOYSA-N
XLogP6.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.26
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-bromo-10-(4-methylphenyl)phenanthrene?
The IUPAC name of 9-bromo-10-(4-methylphenyl)phenanthrene (CID 155481150) is 9-bromo-10-(4-methylphenyl)phenanthrene.
What is the SMILES notation for 9-bromo-10-(4-methylphenyl)phenanthrene?
The canonical SMILES for 9-bromo-10-(4-methylphenyl)phenanthrene is Cc1ccc(-c2c(Br)c3ccccc3c3ccccc23)cc1.
What is the InChIKey of 9-bromo-10-(4-methylphenyl)phenanthrene?
The InChIKey is BYZPVTFOJZBCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Br/c1-14-10-12-15(13-11-14)20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)21(20)22/h2-13H,1H3.
What are the key properties of 9-bromo-10-(4-methylphenyl)phenanthrene?
9-bromo-10-(4-methylphenyl)phenanthrene has a molecular weight of 347.26 g/mol, XLogP of 6.73, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-10-(4-methylphenyl)phenanthrene is sourced from PubChem (CID 155481150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).