3-[3-(4-bromophenyl)phenyl]-9,10-dihydrophenanthrene

C26H19Br — CID 144639990

IUPAC3-[3-(4-bromophenyl)phenyl]-9,10-dihydrophenanthrene
SMILESBrc1ccc(-c2cccc(-c3ccc4c(c3)-c3ccccc3CC4)c2)cc1
InChIInChI=1S/C26H19Br/c27-24-14-12-18(13-15-24)21-5-3-6-22(16-21)23-11-10-20-9-8-19-4-1-2-7-25(19)26(20)17-23/h1-7,10-17H,8-9H2
InChIKeyQPOONASUNASGFL-UHFFFAOYSA-N
MW411.34 g/mol
LogP7.55
Rot. Bonds2

About 3-[3-(4-bromophenyl)phenyl]-9,10-dihydrophenanthrene

3-[3-(4-bromophenyl)phenyl]-9,10-dihydrophenanthrene (PubChem CID 144639990) has the molecular formula C26H19Br and a molecular weight of 411.34 g/mol. Its IUPAC name is 3-[3-(4-bromophenyl)phenyl]-9,10-dihydrophenanthrene.

Molecular Properties

Compound Name3-[3-(4-bromophenyl)phenyl]-9,10-dihydrophenanthrene
PubChem CID144639990
Molecular FormulaC26H19Br
Molecular Weight411.34 g/mol
Exact Mass410.07
IUPAC Name3-[3-(4-bromophenyl)phenyl]-9,10-dihydrophenanthrene
SMILESBrc1ccc(-c2cccc(-c3ccc4c(c3)-c3ccccc3CC4)c2)cc1
InChIInChI=1S/C26H19Br/c27-24-14-12-18(13-15-24)21-5-3-6-22(16-21)23-11-10-20-9-8-19-4-1-2-7-25(19)26(20)17-23/h1-7,10-17H,8-9H2
InChIKeyQPOONASUNASGFL-UHFFFAOYSA-N
XLogP7.55
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 ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(3E)-5-phenyl-3-(6-phenyl-2,3-dihydroinden-1-ylidene)-1,2-dihydroindene
CID 101427636
1-(4-bromophenyl)-3-[4-[4-[3-(4-bromophenyl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-(4-phenylphenyl)benzene
CID 102428633
N,N-diphenyl-4-(6-phenyl-9H-fluoren-3-yl)aniline;N,N-diphenyl-4-[6-(2-phenylphenyl)-9H-fluoren-3-yl]aniline;N,N-diphenyl-4-[6-(3-phenylphenyl)-9H-fluoren-3-yl]aniline;4-(9H-fluoren-3-yl)-N,N-diphenylaniline
CID 161002585
4-(9H-fluoren-3-yl)-6-(3-phenylphenyl)dibenzothiophene
CID 157122578
4'-[3-(4-bromophenyl)phenyl]-9,9'-spirobi[fluorene]
CID 165158281
9,10-dihydrophenanthrene;methane
CID 174728506
tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,16,18-nonaene
CID 12568460
2-(4-bromophenyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline
CID 778929
5-bromo-3-phenyl-9H-fluorene
CID 157361049
2'-(4-bromophenyl)-7'-phenyl-9,9'-spirobi[fluorene]
CID 142716244
2-[[6-[3-(4-bromophenyl)phenyl]-10H-phenanthren-9-ylidene]methyl]dibenzofuran
CID 144640207
2-[3-[1-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]phenyl]triphenylene
CID 159018223

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-bromophenyl)phenyl]-9,10-dihydrophenanthrene?
The IUPAC name of 3-[3-(4-bromophenyl)phenyl]-9,10-dihydrophenanthrene (CID 144639990) is 3-[3-(4-bromophenyl)phenyl]-9,10-dihydrophenanthrene.
What is the SMILES notation for 3-[3-(4-bromophenyl)phenyl]-9,10-dihydrophenanthrene?
The canonical SMILES for 3-[3-(4-bromophenyl)phenyl]-9,10-dihydrophenanthrene is Brc1ccc(-c2cccc(-c3ccc4c(c3)-c3ccccc3CC4)c2)cc1.
What is the InChIKey of 3-[3-(4-bromophenyl)phenyl]-9,10-dihydrophenanthrene?
The InChIKey is QPOONASUNASGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19Br/c27-24-14-12-18(13-15-24)21-5-3-6-22(16-21)23-11-10-20-9-8-19-4-1-2-7-25(19)26(20)17-23/h1-7,10-17H,8-9H2.
What are the key properties of 3-[3-(4-bromophenyl)phenyl]-9,10-dihydrophenanthrene?
3-[3-(4-bromophenyl)phenyl]-9,10-dihydrophenanthrene has a molecular weight of 411.34 g/mol, XLogP of 7.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-bromophenyl)phenyl]-9,10-dihydrophenanthrene is sourced from PubChem (CID 144639990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).