1,3-diphenylbenzene

C18H14 — CID 7076

IUPAC1,3-diphenylbenzene
SMILESc1ccc(-c2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C18H14/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16/h1-14H
InChIKeyYJTKZCDBKVTVBY-UHFFFAOYSA-N
MW230.31 g/mol
LogP5.02
Rot. Bonds2

About 1,3-diphenylbenzene

1,3-diphenylbenzene (PubChem CID 7076) has the molecular formula C18H14 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1,3-diphenylbenzene.

Molecular Properties

Compound Name1,3-diphenylbenzene
PubChem CID7076
Molecular FormulaC18H14
Molecular Weight230.31 g/mol
Exact Mass230.11
IUPAC Name1,3-diphenylbenzene
SMILESc1ccc(-c2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C18H14/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16/h1-14H
InChIKeyYJTKZCDBKVTVBY-UHFFFAOYSA-N
XLogP5.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.31
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Biphenyl
CID 7095
Anthracene
CID 8418
Phenanthrene
CID 995
Pyrene
CID 31423
1-Methylnaphthalene
CID 7002
BENZ(a)ANTHRACENE
CID 5954
Acenaphthylene
CID 9161
Chrysene
CID 9171
1-Methylpyrene
CID 16932
1,2,3-Trimethylbenzene
CID 10686
1,3-Diethylbenzene
CID 8864
p-Terphenyl
CID 7115

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenylbenzene?
The IUPAC name of 1,3-diphenylbenzene (CID 7076) is 1,3-diphenylbenzene.
What is the SMILES notation for 1,3-diphenylbenzene?
The canonical SMILES for 1,3-diphenylbenzene is c1ccc(-c2cccc(-c3ccccc3)c2)cc1.
What is the InChIKey of 1,3-diphenylbenzene?
The InChIKey is YJTKZCDBKVTVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16/h1-14H.
What are the key properties of 1,3-diphenylbenzene?
1,3-diphenylbenzene has a molecular weight of 230.31 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenylbenzene is sourced from PubChem (CID 7076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).