3-phenylbuta-1,3-dien-2-ylbenzene;[(Z)-3-phenylbut-2-en-2-yl]benzene

C32H30 — CID 143250660

IUPAC3-phenylbuta-1,3-dien-2-ylbenzene;[(Z)-3-phenylbut-2-en-2-yl]benzene
SMILESC/C(=C(\C)c1ccccc1)c1ccccc1.C=C(C(=C)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16.C16H14/c2*1-13(15-9-5-3-6-10-15)14(2)16-11-7-4-8-12-16/h3-12H,1-2H3;3-12H,1-2H2/b14-13-;
InChIKeyBNMJNRNRNXOJEI-HPWRNOGASA-N
MW414.59 g/mol
LogP9.05
Rot. Bonds5

About 3-phenylbuta-1,3-dien-2-ylbenzene;[(Z)-3-phenylbut-2-en-2-yl]benzene

3-phenylbuta-1,3-dien-2-ylbenzene;[(Z)-3-phenylbut-2-en-2-yl]benzene (PubChem CID 143250660) has the molecular formula C32H30 and a molecular weight of 414.59 g/mol. Its IUPAC name is 3-phenylbuta-1,3-dien-2-ylbenzene;[(Z)-3-phenylbut-2-en-2-yl]benzene.

Molecular Properties

Compound Name3-phenylbuta-1,3-dien-2-ylbenzene;[(Z)-3-phenylbut-2-en-2-yl]benzene
PubChem CID143250660
Molecular FormulaC32H30
Molecular Weight414.59 g/mol
Exact Mass414.23
IUPAC Name3-phenylbuta-1,3-dien-2-ylbenzene;[(Z)-3-phenylbut-2-en-2-yl]benzene
SMILESC/C(=C(\C)c1ccccc1)c1ccccc1.C=C(C(=C)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16.C16H14/c2*1-13(15-9-5-3-6-10-15)14(2)16-11-7-4-8-12-16/h3-12H,1-2H3;3-12H,1-2H2/b14-13-;
InChIKeyBNMJNRNRNXOJEI-HPWRNOGASA-N
XLogP9.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.59
LogP ≤ 59.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-phenylprop-2-enoic acid
CID 142472843
CID 159091938
CID 159091938
ethane;tris(prop-1-en-2-ylbenzene)
CID 161299444
ethane;3-methylbut-2-en-2-ylbenzene
CID 91173123
prop-1-en-2-ylbenzene;silane
CID 174724970
(3E)-2-phenylpenta-1,3-dien-3-ol
CID 126638860
prop-1-en-2-ylbenzene;1,1,2,2-tetrafluoroethene
CID 161134762
4,4-dimethyl-2-phenylpent-2-en-3-ol
CID 71336376
ethane-1,2-diol;prop-1-en-2-ylbenzene
CID 68647860
dilithium;hydride;tetrakis(prop-1-en-2-ylbenzene)
CID 173210084
2-(1,2-diphenylprop-2-enylidene)propanedinitrile
CID 100995628
2,3-diphenylbut-2-en-1-ol
CID 91085638

Frequently Asked Questions

What is the IUPAC name of 3-phenylbuta-1,3-dien-2-ylbenzene;[(Z)-3-phenylbut-2-en-2-yl]benzene?
The IUPAC name of 3-phenylbuta-1,3-dien-2-ylbenzene;[(Z)-3-phenylbut-2-en-2-yl]benzene (CID 143250660) is 3-phenylbuta-1,3-dien-2-ylbenzene;[(Z)-3-phenylbut-2-en-2-yl]benzene.
What is the SMILES notation for 3-phenylbuta-1,3-dien-2-ylbenzene;[(Z)-3-phenylbut-2-en-2-yl]benzene?
The canonical SMILES for 3-phenylbuta-1,3-dien-2-ylbenzene;[(Z)-3-phenylbut-2-en-2-yl]benzene is C/C(=C(\C)c1ccccc1)c1ccccc1.C=C(C(=C)c1ccccc1)c1ccccc1.
What is the InChIKey of 3-phenylbuta-1,3-dien-2-ylbenzene;[(Z)-3-phenylbut-2-en-2-yl]benzene?
The InChIKey is BNMJNRNRNXOJEI-HPWRNOGASA-N. The full InChI is InChI=1S/C16H16.C16H14/c2*1-13(15-9-5-3-6-10-15)14(2)16-11-7-4-8-12-16/h3-12H,1-2H3;3-12H,1-2H2/b14-13-;.
What are the key properties of 3-phenylbuta-1,3-dien-2-ylbenzene;[(Z)-3-phenylbut-2-en-2-yl]benzene?
3-phenylbuta-1,3-dien-2-ylbenzene;[(Z)-3-phenylbut-2-en-2-yl]benzene has a molecular weight of 414.59 g/mol, XLogP of 9.05, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylbuta-1,3-dien-2-ylbenzene;[(Z)-3-phenylbut-2-en-2-yl]benzene is sourced from PubChem (CID 143250660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).