(3,5-dimethylidene-4-phenylhepta-1,6-dien-4-yl)benzene

C21H20 — CID 155685834

IUPAC(3,5-dimethylidene-4-phenylhepta-1,6-dien-4-yl)benzene
SMILESC=CC(=C)C(C(=C)C=C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20/c1-5-17(3)21(18(4)6-2,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h5-16H,1-4H2
InChIKeyFJFDAPIVNHNXPO-UHFFFAOYSA-N
MW272.39 g/mol
LogP5.46
Rot. Bonds6

About (3,5-dimethylidene-4-phenylhepta-1,6-dien-4-yl)benzene

(3,5-dimethylidene-4-phenylhepta-1,6-dien-4-yl)benzene (PubChem CID 155685834) has the molecular formula C21H20 and a molecular weight of 272.39 g/mol. Its IUPAC name is (3,5-dimethylidene-4-phenylhepta-1,6-dien-4-yl)benzene.

Molecular Properties

Compound Name(3,5-dimethylidene-4-phenylhepta-1,6-dien-4-yl)benzene
PubChem CID155685834
Molecular FormulaC21H20
Molecular Weight272.39 g/mol
Exact Mass272.16
IUPAC Name(3,5-dimethylidene-4-phenylhepta-1,6-dien-4-yl)benzene
SMILESC=CC(=C)C(C(=C)C=C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20/c1-5-17(3)21(18(4)6-2,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h5-16H,1-4H2
InChIKeyFJFDAPIVNHNXPO-UHFFFAOYSA-N
XLogP5.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.39
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 91057041
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CID 144915066
4,5-diamino-4,5-diphenylocta-1,7-diene-3,6-dione
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1,1-diphenylprop-2-enyl(ethenyl)silane
CID 173024270
1,1-diphenylethylbenzene;prop-2-enamide
CID 174910563
5-methylidene-3-phenylhept-6-en-3-ol
CID 90476881
1-phenylbut-3-ene-1,1-diol
CID 134892936
(3,4-dimethyl-4-phenylhexa-1,5-dien-3-yl)benzene
CID 166095951
CID 135081440
CID 135081440
1,1-dichloroprop-2-enylbenzene
CID 23350286
2-amino-2-phenylpent-4-en-1-ol
CID 10464867
N-[dihydroxy(phenyl)methyl]prop-2-enamide
CID 155683465

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylidene-4-phenylhepta-1,6-dien-4-yl)benzene?
The IUPAC name of (3,5-dimethylidene-4-phenylhepta-1,6-dien-4-yl)benzene (CID 155685834) is (3,5-dimethylidene-4-phenylhepta-1,6-dien-4-yl)benzene.
What is the SMILES notation for (3,5-dimethylidene-4-phenylhepta-1,6-dien-4-yl)benzene?
The canonical SMILES for (3,5-dimethylidene-4-phenylhepta-1,6-dien-4-yl)benzene is C=CC(=C)C(C(=C)C=C)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3,5-dimethylidene-4-phenylhepta-1,6-dien-4-yl)benzene?
The InChIKey is FJFDAPIVNHNXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20/c1-5-17(3)21(18(4)6-2,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h5-16H,1-4H2.
What are the key properties of (3,5-dimethylidene-4-phenylhepta-1,6-dien-4-yl)benzene?
(3,5-dimethylidene-4-phenylhepta-1,6-dien-4-yl)benzene has a molecular weight of 272.39 g/mol, XLogP of 5.46, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylidene-4-phenylhepta-1,6-dien-4-yl)benzene is sourced from PubChem (CID 155685834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).