1-[(2E,4Z)-hexa-2,4-dien-3-yl]-8-phenylnaphthalene

C22H20 — CID 174100337

IUPAC1-[(2E,4Z)-hexa-2,4-dien-3-yl]-8-phenylnaphthalene
SMILESC/C=C\C(=C/C)c1cccc2cccc(-c3ccccc3)c12
InChIInChI=1S/C22H20/c1-3-10-17(4-2)20-15-8-13-19-14-9-16-21(22(19)20)18-11-6-5-7-12-18/h3-16H,1-2H3/b10-3-,17-4+
InChIKeyGNUVWVRUPWRBIR-UYMJMZDVSA-N
MW284.40 g/mol
LogP6.49
Rot. Bonds3

About 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-8-phenylnaphthalene

1-[(2E,4Z)-hexa-2,4-dien-3-yl]-8-phenylnaphthalene (PubChem CID 174100337) has the molecular formula C22H20 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-8-phenylnaphthalene.

Molecular Properties

Compound Name1-[(2E,4Z)-hexa-2,4-dien-3-yl]-8-phenylnaphthalene
PubChem CID174100337
Molecular FormulaC22H20
Molecular Weight284.40 g/mol
Exact Mass284.16
IUPAC Name1-[(2E,4Z)-hexa-2,4-dien-3-yl]-8-phenylnaphthalene
SMILESC/C=C\C(=C/C)c1cccc2cccc(-c3ccccc3)c12
InChIInChI=1S/C22H20/c1-3-10-17(4-2)20-15-8-13-19-14-9-16-21(22(19)20)18-11-6-5-7-12-18/h3-16H,1-2H3/b10-3-,17-4+
InChIKeyGNUVWVRUPWRBIR-UYMJMZDVSA-N
XLogP6.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.40
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-8-phenylnaphthalene 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

2,2-dimethyl-1-(8-phenylnaphthalen-1-yl)propan-1-one
CID 10755808
(3Z,5E)-5-(2-phenylphenyl)hepta-3,5-dien-2-amine
CID 145274973
1-[2-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-methylnaphthalen-1-yl]phenyl]-2-methyl-4-phenylnaphthalene
CID 143742639
2-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-4-[(2E,4Z)-hexa-2,4-dien-3-yl]quinazoline
CID 137418785
8-cyclohexa-1,5-dien-1-yl-7-[(2E,4Z)-hexa-2,4-dien-3-yl]-9,10-diphenylfluoranthene
CID 145376392
2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-phenyl-6-[4-[6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 121257999
1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene;methane
CID 144938526
ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene
CID 145073107
benzo[e]azulen-10-ol
CID 140974597
4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-6-phenyldibenzothiophene
CID 144661693
7,12-bis(4-methylphenyl)-8,11-diphenylbenzo[k]fluoranthene
CID 158890209
3-(2-phenylphenyl)perylene
CID 174610298

Frequently Asked Questions

What is the IUPAC name of 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-8-phenylnaphthalene?
The IUPAC name of 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-8-phenylnaphthalene (CID 174100337) is 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-8-phenylnaphthalene.
What is the SMILES notation for 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-8-phenylnaphthalene?
The canonical SMILES for 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-8-phenylnaphthalene is C/C=C\C(=C/C)c1cccc2cccc(-c3ccccc3)c12.
What is the InChIKey of 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-8-phenylnaphthalene?
The InChIKey is GNUVWVRUPWRBIR-UYMJMZDVSA-N. The full InChI is InChI=1S/C22H20/c1-3-10-17(4-2)20-15-8-13-19-14-9-16-21(22(19)20)18-11-6-5-7-12-18/h3-16H,1-2H3/b10-3-,17-4+.
What are the key properties of 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-8-phenylnaphthalene?
1-[(2E,4Z)-hexa-2,4-dien-3-yl]-8-phenylnaphthalene has a molecular weight of 284.40 g/mol, XLogP of 6.49, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-8-phenylnaphthalene is sourced from PubChem (CID 174100337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).