1,4-diphenylbenzene

C18H14 — CID 7115

IUPAC1,4-diphenylbenzene
SMILESc1ccc(-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C18H14/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-14H
InChIKeyXJKSTNDFUHDPQJ-UHFFFAOYSA-N
MW230.31 g/mol
LogP5.02
Rot. Bonds2

About 1,4-diphenylbenzene

1,4-diphenylbenzene (PubChem CID 7115) has the molecular formula C18H14 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1,4-diphenylbenzene.

Molecular Properties

Compound Name1,4-diphenylbenzene
PubChem CID7115
Molecular FormulaC18H14
Molecular Weight230.31 g/mol
Exact Mass230.11
IUPAC Name1,4-diphenylbenzene
SMILESc1ccc(-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C18H14/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-14H
InChIKeyXJKSTNDFUHDPQJ-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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Frequently Asked Questions

What is the IUPAC name of 1,4-diphenylbenzene?
The IUPAC name of 1,4-diphenylbenzene (CID 7115) is 1,4-diphenylbenzene.
What is the SMILES notation for 1,4-diphenylbenzene?
The canonical SMILES for 1,4-diphenylbenzene is c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 1,4-diphenylbenzene?
The InChIKey is XJKSTNDFUHDPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-14H.
What are the key properties of 1,4-diphenylbenzene?
1,4-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 1,4-diphenylbenzene is sourced from PubChem (CID 7115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).