1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane

C22H28 — CID 144938549

IUPAC1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane
SMILESC1=CCCC(c2cccc(-c3ccccc3)c2)=C1.CC.CC
InChIInChI=1S/C18H16.2C2H6/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16;2*1-2/h1-5,7-10,12-14H,6,11H2;2*1-2H3
InChIKeyFHRFVPVDGXXFAC-UHFFFAOYSA-N
MW292.47 g/mol
LogP7.14
Rot. Bonds2

About 1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane

1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane (PubChem CID 144938549) has the molecular formula C22H28 and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane.

Molecular Properties

Compound Name1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane
PubChem CID144938549
Molecular FormulaC22H28
Molecular Weight292.47 g/mol
Exact Mass292.22
IUPAC Name1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane
SMILESC1=CCCC(c2cccc(-c3ccccc3)c2)=C1.CC.CC
InChIInChI=1S/C18H16.2C2H6/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16;2*1-2/h1-5,7-10,12-14H,6,11H2;2*1-2H3
InChIKeyFHRFVPVDGXXFAC-UHFFFAOYSA-N
XLogP7.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.47
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene
CID 123265998
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
N-(4-cyclohexa-1,3-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline
CID 143269273
3-cyclohexa-1,3-dien-1-ylbenzonitrile
CID 51032200
1-[10-(3-cyclohexa-1,3-dien-1-ylphenyl)anthracen-9-yl]-8-phenyldibenzofuran
CID 174290733
2-[[3-(3-cyclohexa-1,3-dien-1-ylphenyl)phenyl]methyl]-4-phenyl-1H-triazete
CID 118123134
(1E,3Z,5Z)-1-[4-[3-[4-(trifluoromethyl)phenyl]phenyl]phenyl]cycloocta-1,3,5-triene
CID 170397812
2-[4-[(E)-2-[4-(3-cyclohexa-1,3-dien-1-ylphenyl)phenyl]prop-1-enyl]-3-methylphenyl]naphthalene;ethane
CID 144659778
bis(1,3-diphenylbenzene);ethane
CID 144938975
4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 154935369
3-cyclohexa-1,3-dien-1-yl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazol-3-yl]-9-phenylcarbazole
CID 134447534

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane?
The IUPAC name of 1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane (CID 144938549) is 1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane.
What is the SMILES notation for 1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane?
The canonical SMILES for 1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane is C1=CCCC(c2cccc(-c3ccccc3)c2)=C1.CC.CC.
What is the InChIKey of 1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane?
The InChIKey is FHRFVPVDGXXFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16.2C2H6/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16;2*1-2/h1-5,7-10,12-14H,6,11H2;2*1-2H3.
What are the key properties of 1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane?
1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane has a molecular weight of 292.47 g/mol, XLogP of 7.14, 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-3-phenylbenzene;ethane is sourced from PubChem (CID 144938549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).