1-cyclohexa-1,3-dien-1-yl-4-[2-(4-phenylphenyl)propyl]benzene

C27H26 — CID 145340700

IUPAC1-cyclohexa-1,3-dien-1-yl-4-[2-(4-phenylphenyl)propyl]benzene
SMILESCC(Cc1ccc(C2=CC=CCC2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H26/c1-21(23-16-18-27(19-17-23)25-10-6-3-7-11-25)20-22-12-14-26(15-13-22)24-8-4-2-5-9-24/h2-4,6-8,10-19,21H,5,9,20H2,1H3
InChIKeyIZVFSDXJIKNAOG-UHFFFAOYSA-N
MW350.51 g/mol
LogP7.43
Rot. Bonds5

About 1-cyclohexa-1,3-dien-1-yl-4-[2-(4-phenylphenyl)propyl]benzene

1-cyclohexa-1,3-dien-1-yl-4-[2-(4-phenylphenyl)propyl]benzene (PubChem CID 145340700) has the molecular formula C27H26 and a molecular weight of 350.51 g/mol. Its IUPAC name is 1-cyclohexa-1,3-dien-1-yl-4-[2-(4-phenylphenyl)propyl]benzene.

Molecular Properties

Compound Name1-cyclohexa-1,3-dien-1-yl-4-[2-(4-phenylphenyl)propyl]benzene
PubChem CID145340700
Molecular FormulaC27H26
Molecular Weight350.51 g/mol
Exact Mass350.20
IUPAC Name1-cyclohexa-1,3-dien-1-yl-4-[2-(4-phenylphenyl)propyl]benzene
SMILESCC(Cc1ccc(C2=CC=CCC2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H26/c1-21(23-16-18-27(19-17-23)25-10-6-3-7-11-25)20-22-12-14-26(15-13-22)24-8-4-2-5-9-24/h2-4,6-8,10-19,21H,5,9,20H2,1H3
InChIKeyIZVFSDXJIKNAOG-UHFFFAOYSA-N
XLogP7.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.51
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-phenyl-4-[1-(4-phenylphenyl)propan-2-yl]benzene
CID 142290495
1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene
CID 123265998
4-[2-[4-[4-[2-[4-(N-cyclohexa-1,3-dien-1-ylanilino)phenyl]ethenyl]phenyl]phenyl]propyl]-N,N-diphenylaniline
CID 123591975
1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane
CID 144938549
1-butan-2-yl-3-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-5-methylbenzene
CID 143691822
1,4-bis(2-phenylpropyl)benzene
CID 19376086
1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]phenyl]phenyl]benzene
CID 58699453
4-[4-[(2R)-2-cyclohexa-1,3-dien-1-ylpropyl]phenyl]benzaldehyde
CID 89277097
[(2R)-1-phenylpropan-2-yl]benzene
CID 11138041
1-chloro-4-[4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]benzene
CID 58698493
ethane;1-phenylpropan-2-ylbenzene
CID 142097323
1-phenyl-4-(2-phenylbutyl)benzene
CID 57285163

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,3-dien-1-yl-4-[2-(4-phenylphenyl)propyl]benzene?
The IUPAC name of 1-cyclohexa-1,3-dien-1-yl-4-[2-(4-phenylphenyl)propyl]benzene (CID 145340700) is 1-cyclohexa-1,3-dien-1-yl-4-[2-(4-phenylphenyl)propyl]benzene.
What is the SMILES notation for 1-cyclohexa-1,3-dien-1-yl-4-[2-(4-phenylphenyl)propyl]benzene?
The canonical SMILES for 1-cyclohexa-1,3-dien-1-yl-4-[2-(4-phenylphenyl)propyl]benzene is CC(Cc1ccc(C2=CC=CCC2)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-cyclohexa-1,3-dien-1-yl-4-[2-(4-phenylphenyl)propyl]benzene?
The InChIKey is IZVFSDXJIKNAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26/c1-21(23-16-18-27(19-17-23)25-10-6-3-7-11-25)20-22-12-14-26(15-13-22)24-8-4-2-5-9-24/h2-4,6-8,10-19,21H,5,9,20H2,1H3.
What are the key properties of 1-cyclohexa-1,3-dien-1-yl-4-[2-(4-phenylphenyl)propyl]benzene?
1-cyclohexa-1,3-dien-1-yl-4-[2-(4-phenylphenyl)propyl]benzene has a molecular weight of 350.51 g/mol, XLogP of 7.43, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,3-dien-1-yl-4-[2-(4-phenylphenyl)propyl]benzene is sourced from PubChem (CID 145340700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).