Chemical Components in the PDB

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1PB : Summary

Code

1PB

One-letter code

X

Molecule name

1,4-DIPHENYL-2-BUTENE

Synonyms

[(1E)-4-PHENYLBUT-1-ENYL]BENZENE

Systematic names

ProgramVersionName
ACDLabs 10.04 1,1'-(1E)-but-1-ene-1,4-diyldibenzene
OpenEye OEToolkits 1.5.0 [(E)-4-phenylbut-3-enyl]benzene

Formula

C16 H16

Formal charge

0

Molecular weight

208.298 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 C(=C/c1ccccc1)\CCc2ccccc2
SMILES CACTVS 3.341 C(Cc1ccccc1)C=Cc2ccccc2
SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)CCC=Cc2ccccc2
Canonical SMILES CACTVS 3.341 C(Cc1ccccc1)/C=C/c2ccccc2
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)CC\C=C\c2ccccc2

IUPAC InChI

InChI=1S/C16H16/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-7,9-13H,8,14H2/b13-7+

IUPAC InChI key

NJJOGKAVAWZLAU-NTUHNPAUSA-N
1PB

wwPDB Information

Atom count

32 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2003-07-08

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned