2-ethynyl-1,4-diphenylbenzene

C20H14 — CID 173113752

IUPAC2-ethynyl-1,4-diphenylbenzene
SMILESC#Cc1cc(-c2ccccc2)ccc1-c1ccccc1
InChIInChI=1S/C20H14/c1-2-16-15-19(17-9-5-3-6-10-17)13-14-20(16)18-11-7-4-8-12-18/h1,3-15H
InChIKeyZSUDTTQHGHSNON-UHFFFAOYSA-N
MW254.33 g/mol
LogP5.00
Rot. Bonds2

About 2-ethynyl-1,4-diphenylbenzene

2-ethynyl-1,4-diphenylbenzene (PubChem CID 173113752) has the molecular formula C20H14 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-ethynyl-1,4-diphenylbenzene.

Molecular Properties

Compound Name2-ethynyl-1,4-diphenylbenzene
PubChem CID173113752
Molecular FormulaC20H14
Molecular Weight254.33 g/mol
Exact Mass254.11
IUPAC Name2-ethynyl-1,4-diphenylbenzene
SMILESC#Cc1cc(-c2ccccc2)ccc1-c1ccccc1
InChIInChI=1S/C20H14/c1-2-16-15-19(17-9-5-3-6-10-17)13-14-20(16)18-11-7-4-8-12-18/h1,3-15H
InChIKeyZSUDTTQHGHSNON-UHFFFAOYSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.33
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1,4-diethynyl-2,5-diphenylbenzene
CID 11644823
11-phenylnonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),2(48),3,5(47),6(46),7,9(45),10,12,14(42),15,17(41),18,20,22,24,26,28,30,33,35,37,39,43-tetracosaene
CID 135036112
1,2,4-triphenylbenzene
CID 518325
2-ethynyl-1-nitro-4-phenylbenzene
CID 176548417
2-ethynyl-1,3,5-triphenylbenzene
CID 173113507
1,2,4-triphenylbenzene;1,3,5-triphenylbenzene
CID 162004033
5-ethynyl-6-phenyl-1,3-benzodioxole
CID 172909317
2-(4-phenylphenyl)bicyclo[2.2.0]hexa-1,3,5-triene
CID 174878589
1-ethynyl-3-(2,3,4,5-tetraphenylphenyl)azulene
CID 12022935
1-ethynyl-5-phenylnaphthalene
CID 162499401
2,5-bis[4-[4-(2,6-dimethyl-3-pyridinyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 169296997
1,4-bis[3-(3-phenylphenyl)phenyl]benzene
CID 123341500

Frequently Asked Questions

What is the IUPAC name of 2-ethynyl-1,4-diphenylbenzene?
The IUPAC name of 2-ethynyl-1,4-diphenylbenzene (CID 173113752) is 2-ethynyl-1,4-diphenylbenzene.
What is the SMILES notation for 2-ethynyl-1,4-diphenylbenzene?
The canonical SMILES for 2-ethynyl-1,4-diphenylbenzene is C#Cc1cc(-c2ccccc2)ccc1-c1ccccc1.
What is the InChIKey of 2-ethynyl-1,4-diphenylbenzene?
The InChIKey is ZSUDTTQHGHSNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14/c1-2-16-15-19(17-9-5-3-6-10-17)13-14-20(16)18-11-7-4-8-12-18/h1,3-15H.
What are the key properties of 2-ethynyl-1,4-diphenylbenzene?
2-ethynyl-1,4-diphenylbenzene has a molecular weight of 254.33 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynyl-1,4-diphenylbenzene is sourced from PubChem (CID 173113752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).