3-phenylbut-3-enylbenzene;(2-phenylcyclobutyl)benzene

C32H32 — CID 157174978

IUPAC3-phenylbut-3-enylbenzene;(2-phenylcyclobutyl)benzene
SMILESC=C(CCc1ccccc1)c1ccccc1.c1ccc(C2CCC2c2ccccc2)cc1
InChIInChI=1S/2C16H16/c1-3-7-13(8-4-1)15-11-12-16(15)14-9-5-2-6-10-14;1-14(16-10-6-3-7-11-16)12-13-15-8-4-2-5-9-15/h1-10,15-16H,11-12H2;2-11H,1,12-13H2
InChIKeyANXBGZKFIGUXHK-UHFFFAOYSA-N
MW416.61 g/mol
LogP8.68
Rot. Bonds6

About 3-phenylbut-3-enylbenzene;(2-phenylcyclobutyl)benzene

3-phenylbut-3-enylbenzene;(2-phenylcyclobutyl)benzene (PubChem CID 157174978) has the molecular formula C32H32 and a molecular weight of 416.61 g/mol. Its IUPAC name is 3-phenylbut-3-enylbenzene;(2-phenylcyclobutyl)benzene.

Molecular Properties

Compound Name3-phenylbut-3-enylbenzene;(2-phenylcyclobutyl)benzene
PubChem CID157174978
Molecular FormulaC32H32
Molecular Weight416.61 g/mol
Exact Mass416.25
IUPAC Name3-phenylbut-3-enylbenzene;(2-phenylcyclobutyl)benzene
SMILESC=C(CCc1ccccc1)c1ccccc1.c1ccc(C2CCC2c2ccccc2)cc1
InChIInChI=1S/2C16H16/c1-3-7-13(8-4-1)15-11-12-16(15)14-9-5-2-6-10-14;1-14(16-10-6-3-7-11-16)12-13-15-8-4-2-5-9-15/h1-10,15-16H,11-12H2;2-11H,1,12-13H2
InChIKeyANXBGZKFIGUXHK-UHFFFAOYSA-N
XLogP8.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.61
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Fenbutatin oxide
CID 16683004
Triphenylethylene
CID 6025
Benzene, 1,1',1'',1'''-(1,3-butadiene-1,4-diylidene)tetrakis-
CID 74060
Triphenylmethane
CID 10614
1,1,1-Triphenylethane
CID 78926
p-Quaterphenyl
CID 8677
Quaterphenyl
CID 14422
Tetraphenylethylene
CID 69437
Phosphonium, triphenyl(triphenylmethyl)-, chloride
CID 85420
1,3,5-Triphenylbenzene
CID 11930
o-Quaterphenyl
CID 12549
1,1,2,2-Tetraphenylethane
CID 136454

Frequently Asked Questions

What is the IUPAC name of 3-phenylbut-3-enylbenzene;(2-phenylcyclobutyl)benzene?
The IUPAC name of 3-phenylbut-3-enylbenzene;(2-phenylcyclobutyl)benzene (CID 157174978) is 3-phenylbut-3-enylbenzene;(2-phenylcyclobutyl)benzene.
What is the SMILES notation for 3-phenylbut-3-enylbenzene;(2-phenylcyclobutyl)benzene?
The canonical SMILES for 3-phenylbut-3-enylbenzene;(2-phenylcyclobutyl)benzene is C=C(CCc1ccccc1)c1ccccc1.c1ccc(C2CCC2c2ccccc2)cc1.
What is the InChIKey of 3-phenylbut-3-enylbenzene;(2-phenylcyclobutyl)benzene?
The InChIKey is ANXBGZKFIGUXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H16/c1-3-7-13(8-4-1)15-11-12-16(15)14-9-5-2-6-10-14;1-14(16-10-6-3-7-11-16)12-13-15-8-4-2-5-9-15/h1-10,15-16H,11-12H2;2-11H,1,12-13H2.
What are the key properties of 3-phenylbut-3-enylbenzene;(2-phenylcyclobutyl)benzene?
3-phenylbut-3-enylbenzene;(2-phenylcyclobutyl)benzene has a molecular weight of 416.61 g/mol, XLogP of 8.68, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylbut-3-enylbenzene;(2-phenylcyclobutyl)benzene is sourced from PubChem (CID 157174978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).