1-(4,4-diphenylbuta-1,3-dienyl)-4-(4-phenylbuta-1,3-dienyl)benzene

C32H26 — CID 173138979

IUPAC1-(4,4-diphenylbuta-1,3-dienyl)-4-(4-phenylbuta-1,3-dienyl)benzene
SMILESC(C=Cc1ccc(C=CC=C(c2ccccc2)c2ccccc2)cc1)=Cc1ccccc1
InChIInChI=1S/C32H26/c1-4-13-27(14-5-1)15-10-11-16-28-23-25-29(26-24-28)17-12-22-32(30-18-6-2-7-19-30)31-20-8-3-9-21-31/h1-26H
InChIKeyRLAIUXPLEQOZFR-UHFFFAOYSA-N
MW410.56 g/mol
LogP8.56
Rot. Bonds7

About 1-(4,4-diphenylbuta-1,3-dienyl)-4-(4-phenylbuta-1,3-dienyl)benzene

1-(4,4-diphenylbuta-1,3-dienyl)-4-(4-phenylbuta-1,3-dienyl)benzene (PubChem CID 173138979) has the molecular formula C32H26 and a molecular weight of 410.56 g/mol. Its IUPAC name is 1-(4,4-diphenylbuta-1,3-dienyl)-4-(4-phenylbuta-1,3-dienyl)benzene.

Molecular Properties

Compound Name1-(4,4-diphenylbuta-1,3-dienyl)-4-(4-phenylbuta-1,3-dienyl)benzene
PubChem CID173138979
Molecular FormulaC32H26
Molecular Weight410.56 g/mol
Exact Mass410.20
IUPAC Name1-(4,4-diphenylbuta-1,3-dienyl)-4-(4-phenylbuta-1,3-dienyl)benzene
SMILESC(C=Cc1ccc(C=CC=C(c2ccccc2)c2ccccc2)cc1)=Cc1ccccc1
InChIInChI=1S/C32H26/c1-4-13-27(14-5-1)15-10-11-16-28-23-25-29(26-24-28)17-12-22-32(30-18-6-2-7-19-30)31-20-8-3-9-21-31/h1-26H
InChIKeyRLAIUXPLEQOZFR-UHFFFAOYSA-N
XLogP8.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.56
LogP ≤ 58.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-phenylaniline
CID 23371223
1-(4,4-diphenylbuta-1,3-dienyl)-4-[2-(4-iodophenyl)ethenyl]benzene
CID 90306652
4-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]-N-[4-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]phenyl]-N-phenylaniline
CID 91386727
4-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N,N-diphenylaniline
CID 23069421
4-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-[4-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]phenyl]-N-phenylaniline
CID 87948616
1,4-bis[(1E,3E)-1-(4-methylphenyl)-4-phenylbuta-1,3-dienyl]benzene
CID 11730962
4-(4,4-diphenylbuta-1,3-dienyl)-N,N-bis[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]aniline;ethane
CID 163992333
4-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N,N-bis[4-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]phenyl]aniline
CID 87948560
4-(4,4-diphenylbuta-1,3-dienyl)-N,N-bis[4-(2,2-diphenylethenyl)phenyl]aniline
CID 54461178
4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-[2-[4-[2-[4-[4-(4,4-diphenylbuta-1,3-dienyl)-N-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(2,2-diphenylethenyl)aniline
CID 76826404
N-[4-[2-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]ethenyl]phenyl]-4-[2-(4-methylphenyl)ethenyl]-N-phenylaniline
CID 155077496
[(3E)-1,6,6-triphenylhexa-1,3,5-trienyl]benzene
CID 15791647

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-diphenylbuta-1,3-dienyl)-4-(4-phenylbuta-1,3-dienyl)benzene?
The IUPAC name of 1-(4,4-diphenylbuta-1,3-dienyl)-4-(4-phenylbuta-1,3-dienyl)benzene (CID 173138979) is 1-(4,4-diphenylbuta-1,3-dienyl)-4-(4-phenylbuta-1,3-dienyl)benzene.
What is the SMILES notation for 1-(4,4-diphenylbuta-1,3-dienyl)-4-(4-phenylbuta-1,3-dienyl)benzene?
The canonical SMILES for 1-(4,4-diphenylbuta-1,3-dienyl)-4-(4-phenylbuta-1,3-dienyl)benzene is C(C=Cc1ccc(C=CC=C(c2ccccc2)c2ccccc2)cc1)=Cc1ccccc1.
What is the InChIKey of 1-(4,4-diphenylbuta-1,3-dienyl)-4-(4-phenylbuta-1,3-dienyl)benzene?
The InChIKey is RLAIUXPLEQOZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26/c1-4-13-27(14-5-1)15-10-11-16-28-23-25-29(26-24-28)17-12-22-32(30-18-6-2-7-19-30)31-20-8-3-9-21-31/h1-26H.
What are the key properties of 1-(4,4-diphenylbuta-1,3-dienyl)-4-(4-phenylbuta-1,3-dienyl)benzene?
1-(4,4-diphenylbuta-1,3-dienyl)-4-(4-phenylbuta-1,3-dienyl)benzene has a molecular weight of 410.56 g/mol, XLogP of 8.56, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-diphenylbuta-1,3-dienyl)-4-(4-phenylbuta-1,3-dienyl)benzene is sourced from PubChem (CID 173138979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).