9-(4-bromophenyl)-10-phenylphenanthrene

C26H17Br — CID 53259689

IUPAC9-(4-bromophenyl)-10-phenylphenanthrene
SMILESBrc1ccc(-c2c(-c3ccccc3)c3ccccc3c3ccccc23)cc1
InChIInChI=1S/C26H17Br/c27-20-16-14-19(15-17-20)26-24-13-7-5-11-22(24)21-10-4-6-12-23(21)25(26)18-8-2-1-3-9-18/h1-17H
InChIKeyKXPFJAIKSHJVTM-UHFFFAOYSA-N
MW409.33 g/mol
LogP8.09
Rot. Bonds2

About 9-(4-bromophenyl)-10-phenylphenanthrene

9-(4-bromophenyl)-10-phenylphenanthrene (PubChem CID 53259689) has the molecular formula C26H17Br and a molecular weight of 409.33 g/mol. Its IUPAC name is 9-(4-bromophenyl)-10-phenylphenanthrene.

Molecular Properties

Compound Name9-(4-bromophenyl)-10-phenylphenanthrene
PubChem CID53259689
Molecular FormulaC26H17Br
Molecular Weight409.33 g/mol
Exact Mass408.05
IUPAC Name9-(4-bromophenyl)-10-phenylphenanthrene
SMILESBrc1ccc(-c2c(-c3ccccc3)c3ccccc3c3ccccc23)cc1
InChIInChI=1S/C26H17Br/c27-20-16-14-19(15-17-20)26-24-13-7-5-11-22(24)21-10-4-6-12-23(21)25(26)18-8-2-1-3-9-18/h1-17H
InChIKeyKXPFJAIKSHJVTM-UHFFFAOYSA-N
XLogP8.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.33
LogP ≤ 58.09
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-(4-bromophenyl)-10-phenylphenanthrene?
The IUPAC name of 9-(4-bromophenyl)-10-phenylphenanthrene (CID 53259689) is 9-(4-bromophenyl)-10-phenylphenanthrene.
What is the SMILES notation for 9-(4-bromophenyl)-10-phenylphenanthrene?
The canonical SMILES for 9-(4-bromophenyl)-10-phenylphenanthrene is Brc1ccc(-c2c(-c3ccccc3)c3ccccc3c3ccccc23)cc1.
What is the InChIKey of 9-(4-bromophenyl)-10-phenylphenanthrene?
The InChIKey is KXPFJAIKSHJVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17Br/c27-20-16-14-19(15-17-20)26-24-13-7-5-11-22(24)21-10-4-6-12-23(21)25(26)18-8-2-1-3-9-18/h1-17H.
What are the key properties of 9-(4-bromophenyl)-10-phenylphenanthrene?
9-(4-bromophenyl)-10-phenylphenanthrene has a molecular weight of 409.33 g/mol, XLogP of 8.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-bromophenyl)-10-phenylphenanthrene is sourced from PubChem (CID 53259689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).