3-bromo-9-(3-phenylphenyl)-9,10-dihydrophenanthrene

C26H19Br — CID 126561097

IUPAC3-bromo-9-(3-phenylphenyl)-9,10-dihydrophenanthrene
SMILESBrc1ccc2c(c1)-c1ccccc1C(c1cccc(-c3ccccc3)c1)C2
InChIInChI=1S/C26H19Br/c27-22-14-13-21-16-25(23-11-4-5-12-24(23)26(21)17-22)20-10-6-9-19(15-20)18-7-2-1-3-8-18/h1-15,17,25H,16H2
InChIKeyGHRZSFGLSFRURM-UHFFFAOYSA-N
MW411.34 g/mol
LogP7.47
Rot. Bonds2

About 3-bromo-9-(3-phenylphenyl)-9,10-dihydrophenanthrene

3-bromo-9-(3-phenylphenyl)-9,10-dihydrophenanthrene (PubChem CID 126561097) has the molecular formula C26H19Br and a molecular weight of 411.34 g/mol. Its IUPAC name is 3-bromo-9-(3-phenylphenyl)-9,10-dihydrophenanthrene.

Molecular Properties

Compound Name3-bromo-9-(3-phenylphenyl)-9,10-dihydrophenanthrene
PubChem CID126561097
Molecular FormulaC26H19Br
Molecular Weight411.34 g/mol
Exact Mass410.07
IUPAC Name3-bromo-9-(3-phenylphenyl)-9,10-dihydrophenanthrene
SMILESBrc1ccc2c(c1)-c1ccccc1C(c1cccc(-c3ccccc3)c1)C2
InChIInChI=1S/C26H19Br/c27-22-14-13-21-16-25(23-11-4-5-12-24(23)26(21)17-22)20-10-6-9-19(15-20)18-7-2-1-3-8-18/h1-15,17,25H,16H2
InChIKeyGHRZSFGLSFRURM-UHFFFAOYSA-N
XLogP7.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.34
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-9-(3-phenylphenyl)-9,10-dihydrophenanthrene?
The IUPAC name of 3-bromo-9-(3-phenylphenyl)-9,10-dihydrophenanthrene (CID 126561097) is 3-bromo-9-(3-phenylphenyl)-9,10-dihydrophenanthrene.
What is the SMILES notation for 3-bromo-9-(3-phenylphenyl)-9,10-dihydrophenanthrene?
The canonical SMILES for 3-bromo-9-(3-phenylphenyl)-9,10-dihydrophenanthrene is Brc1ccc2c(c1)-c1ccccc1C(c1cccc(-c3ccccc3)c1)C2.
What is the InChIKey of 3-bromo-9-(3-phenylphenyl)-9,10-dihydrophenanthrene?
The InChIKey is GHRZSFGLSFRURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19Br/c27-22-14-13-21-16-25(23-11-4-5-12-24(23)26(21)17-22)20-10-6-9-19(15-20)18-7-2-1-3-8-18/h1-15,17,25H,16H2.
What are the key properties of 3-bromo-9-(3-phenylphenyl)-9,10-dihydrophenanthrene?
3-bromo-9-(3-phenylphenyl)-9,10-dihydrophenanthrene has a molecular weight of 411.34 g/mol, XLogP of 7.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-9-(3-phenylphenyl)-9,10-dihydrophenanthrene is sourced from PubChem (CID 126561097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).