5-hexa-2,4-dien-2-ylbenzo[10]annulene

C20H20 — CID 123186746

IUPAC5-hexa-2,4-dien-2-ylbenzo[10]annulene
SMILESCC=CC=C(C)c1cccccccc2ccccc12
InChIInChI=1S/C20H20/c1-3-4-12-17(2)19-15-9-7-5-6-8-13-18-14-10-11-16-20(18)19/h3-16H,1-2H3/b4-3?,6-5-,7-5-,8-6+,9-7-,13-8+,15-9+,17-12?,18-13-,19-15+,20-19+
InChIKeyLPOHEMDLLVTRKP-KOMSJXMDSA-N
MW260.38 g/mol
LogP5.94
Rot. Bonds2

About 5-hexa-2,4-dien-2-ylbenzo[10]annulene

5-hexa-2,4-dien-2-ylbenzo[10]annulene (PubChem CID 123186746) has the molecular formula C20H20 and a molecular weight of 260.38 g/mol. Its IUPAC name is 5-hexa-2,4-dien-2-ylbenzo[10]annulene.

Molecular Properties

Compound Name5-hexa-2,4-dien-2-ylbenzo[10]annulene
PubChem CID123186746
Molecular FormulaC20H20
Molecular Weight260.38 g/mol
Exact Mass260.16
IUPAC Name5-hexa-2,4-dien-2-ylbenzo[10]annulene
SMILESCC=CC=C(C)c1cccccccc2ccccc12
InChIInChI=1S/C20H20/c1-3-4-12-17(2)19-15-9-7-5-6-8-13-18-14-10-11-16-20(18)19/h3-16H,1-2H3/b4-3?,6-5-,7-5-,8-6+,9-7-,13-8+,15-9+,17-12?,18-13-,19-15+,20-19+
InChIKeyLPOHEMDLLVTRKP-KOMSJXMDSA-N
XLogP5.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.38
LogP ≤ 55.94
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

4-(5-hexa-2,4-dien-2-ylbenzo[10]annulen-12-yl)pyrene
CID 123399272
(Z)-3-naphthalen-1-ylbut-2-enal
CID 138583647
1-(1-bromoprop-1-en-2-yl)naphthalene
CID 158497087
8,9-bis(ethenyl)-12-hexa-2,4-dien-2-yl-5-hexa-1,3,5-trien-2-ylbenzo[10]annulene
CID 123191110
2-[(2E,4Z)-2-naphthalen-1-ylhexa-2,4-dienyl]aniline
CID 144856241
(Z)-4-naphthalen-1-ylpent-3-en-2-ol
CID 103971171
[(2E,4Z)-hexa-2,4-dien-2-yl]-naphthalen-1-yl-diphenylphosphanium
CID 167164754
1-(1-phenylprop-1-enyl)naphthalene
CID 54216225
triethyl-[(E)-2-naphthalen-1-ylprop-1-enyl]silane
CID 101087823
2-methyl-5-[(2E,4E)-5-naphthalen-1-ylhexa-2,4-dien-2-yl]pyridine
CID 170229762
(3-hexa-2,4-dien-2-yl-2-methylphenyl)-trimethylsilane
CID 90725248
1-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,6-dimethyl-8-phenylnaphthalene
CID 59878731

Frequently Asked Questions

What is the IUPAC name of 5-hexa-2,4-dien-2-ylbenzo[10]annulene?
The IUPAC name of 5-hexa-2,4-dien-2-ylbenzo[10]annulene (CID 123186746) is 5-hexa-2,4-dien-2-ylbenzo[10]annulene.
What is the SMILES notation for 5-hexa-2,4-dien-2-ylbenzo[10]annulene?
The canonical SMILES for 5-hexa-2,4-dien-2-ylbenzo[10]annulene is CC=CC=C(C)c1cccccccc2ccccc12.
What is the InChIKey of 5-hexa-2,4-dien-2-ylbenzo[10]annulene?
The InChIKey is LPOHEMDLLVTRKP-KOMSJXMDSA-N. The full InChI is InChI=1S/C20H20/c1-3-4-12-17(2)19-15-9-7-5-6-8-13-18-14-10-11-16-20(18)19/h3-16H,1-2H3/b4-3?,6-5-,7-5-,8-6+,9-7-,13-8+,15-9+,17-12?,18-13-,19-15+,20-19+.
What are the key properties of 5-hexa-2,4-dien-2-ylbenzo[10]annulene?
5-hexa-2,4-dien-2-ylbenzo[10]annulene has a molecular weight of 260.38 g/mol, XLogP of 5.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexa-2,4-dien-2-ylbenzo[10]annulene is sourced from PubChem (CID 123186746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).