hexa-1,2,3,5-tetraenylbenzene

C12H10 — CID 91806604

IUPAChexa-1,2,3,5-tetraenylbenzene
SMILESC=CC=C=C=Cc1ccccc1
InChIInChI=1S/C12H10/c1-2-3-4-6-9-12-10-7-5-8-11-12/h2-3,5,7-11H,1H2/b9-3+
InChIKeyBKALRCFJROUAGX-YCRREMRBSA-N
MW154.21 g/mol
LogP3.20
Rot. Bonds2

About hexa-1,2,3,5-tetraenylbenzene

hexa-1,2,3,5-tetraenylbenzene (PubChem CID 91806604) has the molecular formula C12H10 and a molecular weight of 154.21 g/mol. Its IUPAC name is hexa-1,2,3,5-tetraenylbenzene.

Molecular Properties

Compound Namehexa-1,2,3,5-tetraenylbenzene
PubChem CID91806604
Molecular FormulaC12H10
Molecular Weight154.21 g/mol
Exact Mass154.08
IUPAC Namehexa-1,2,3,5-tetraenylbenzene
SMILESC=CC=C=C=Cc1ccccc1
InChIInChI=1S/C12H10/c1-2-3-4-6-9-12-10-7-5-8-11-12/h2-3,5,7-11H,1H2/b9-3+
InChIKeyBKALRCFJROUAGX-YCRREMRBSA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze hexa-1,2,3,5-tetraenylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-phenylbuta-1,2,3-trien-1-amine
CID 88847251
4-methylpenta-1,2,3-trienylbenzene
CID 11805007
benzene;ethene;styrene
CID 159006852
styrene;tetrahydrofluoride
CID 68985344
CID 57450570
CID 57450570
cadmium;styrene
CID 158944156
2-methylbuta-1,3-diene;penta-1,2,4-triene;styrene
CID 174829799
CID 150789549
CID 150789549
1,3-diphenylpropa-1,2-dienylbenzene;hydrochloride
CID 175335155
buta-1,3-diene;fluoromethane;styrene
CID 174915183
benzene;buta-1,3-dienylbenzene;ethene
CID 174664809
buta-1,3-dienylbenzene;tetrahydrochloride
CID 173415129

Frequently Asked Questions

What is the IUPAC name of hexa-1,2,3,5-tetraenylbenzene?
The IUPAC name of hexa-1,2,3,5-tetraenylbenzene (CID 91806604) is hexa-1,2,3,5-tetraenylbenzene.
What is the SMILES notation for hexa-1,2,3,5-tetraenylbenzene?
The canonical SMILES for hexa-1,2,3,5-tetraenylbenzene is C=CC=C=C=Cc1ccccc1.
What is the InChIKey of hexa-1,2,3,5-tetraenylbenzene?
The InChIKey is BKALRCFJROUAGX-YCRREMRBSA-N. The full InChI is InChI=1S/C12H10/c1-2-3-4-6-9-12-10-7-5-8-11-12/h2-3,5,7-11H,1H2/b9-3+.
What are the key properties of hexa-1,2,3,5-tetraenylbenzene?
hexa-1,2,3,5-tetraenylbenzene has a molecular weight of 154.21 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexa-1,2,3,5-tetraenylbenzene is sourced from PubChem (CID 91806604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).