1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene

C18H16 — CID 123265998

IUPAC1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene
SMILESC1=CCCC(c2ccc(-c3ccccc3)cc2)=C1
InChIInChI=1S/C18H16/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-5,7-9,11-14H,6,10H2
InChIKeyZAIMMGLIJLWWBJ-UHFFFAOYSA-N
MW232.33 g/mol
LogP5.09
Rot. Bonds2

About 1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene

1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene (PubChem CID 123265998) has the molecular formula C18H16 and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene.

Molecular Properties

Compound Name1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene
PubChem CID123265998
Molecular FormulaC18H16
Molecular Weight232.33 g/mol
Exact Mass232.13
IUPAC Name1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene
SMILESC1=CCCC(c2ccc(-c3ccccc3)cc2)=C1
InChIInChI=1S/C18H16/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-5,7-9,11-14H,6,10H2
InChIKeyZAIMMGLIJLWWBJ-UHFFFAOYSA-N
XLogP5.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.33
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

N-[4-[4-[4-[4-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 145063466
4-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166859893
1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane
CID 144938549
N-(4-cyclohexa-1,3-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline
CID 143269273
1-cyclohexa-1,3-dien-1-yl-4-[2-(4-phenylphenyl)propyl]benzene
CID 145340700
6-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-13-(4-phenylphenyl)pentacene
CID 164763728
N-cyclohexa-1,3-dien-1-yl-4-phenylaniline
CID 134504686
4-cyclohexa-1,3-dien-1-yl-N-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 118402803
4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 154935369
4-cyclohexa-1,3-dien-1-ylbenzaldehyde
CID 89145336
2-[3-cyclohexa-1,3-dien-1-yl-5-(4-pyridin-2-ylphenyl)phenyl]-4-phenyl-6-[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine
CID 166649509
2-cyclohexa-1,3-dien-1-yl-4-(3,5-dinaphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 129171468

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene?
The IUPAC name of 1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene (CID 123265998) is 1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene.
What is the SMILES notation for 1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene?
The canonical SMILES for 1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene is C1=CCCC(c2ccc(-c3ccccc3)cc2)=C1.
What is the InChIKey of 1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene?
The InChIKey is ZAIMMGLIJLWWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-5,7-9,11-14H,6,10H2.
What are the key properties of 1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene?
1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene has a molecular weight of 232.33 g/mol, XLogP of 5.09, 2 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-phenylbenzene is sourced from PubChem (CID 123265998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).