1-cyclohexa-1,3-dien-1-yl-4-(3-ethylpenta-1,3-dienyl)naphthalene

C23H24 — CID 123183318

IUPAC1-cyclohexa-1,3-dien-1-yl-4-(3-ethylpenta-1,3-dienyl)naphthalene
SMILESCC=C(C=Cc1ccc(C2=CC=CCC2)c2ccccc12)CC
InChIInChI=1S/C23H24/c1-3-18(4-2)14-15-20-16-17-22(19-10-6-5-7-11-19)23-13-9-8-12-21(20)23/h3,5-6,8-10,12-17H,4,7,11H2,1-2H3
InChIKeyKSXYFWGDLIAQFY-UHFFFAOYSA-N
MW300.45 g/mol
LogP6.94
Rot. Bonds4

About 1-cyclohexa-1,3-dien-1-yl-4-(3-ethylpenta-1,3-dienyl)naphthalene

1-cyclohexa-1,3-dien-1-yl-4-(3-ethylpenta-1,3-dienyl)naphthalene (PubChem CID 123183318) has the molecular formula C23H24 and a molecular weight of 300.45 g/mol. Its IUPAC name is 1-cyclohexa-1,3-dien-1-yl-4-(3-ethylpenta-1,3-dienyl)naphthalene.

Molecular Properties

Compound Name1-cyclohexa-1,3-dien-1-yl-4-(3-ethylpenta-1,3-dienyl)naphthalene
PubChem CID123183318
Molecular FormulaC23H24
Molecular Weight300.45 g/mol
Exact Mass300.19
IUPAC Name1-cyclohexa-1,3-dien-1-yl-4-(3-ethylpenta-1,3-dienyl)naphthalene
SMILESCC=C(C=Cc1ccc(C2=CC=CCC2)c2ccccc12)CC
InChIInChI=1S/C23H24/c1-3-18(4-2)14-15-20-16-17-22(19-10-6-5-7-11-19)23-13-9-8-12-21(20)23/h3,5-6,8-10,12-17H,4,7,11H2,1-2H3
InChIKeyKSXYFWGDLIAQFY-UHFFFAOYSA-N
XLogP6.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.45
LogP ≤ 56.94
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

5-cyclohexa-1,3-dien-1-yl-12-hexa-1,3,5-trien-2-yl-2,8-bis(4-phenylphenyl)benzo[10]annulene
CID 72556045
N-[4-[4-(cyclodecapentaenyl)phenyl]-3-cyclohexa-1,3-dien-1-ylphenyl]-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenanthren-9-amine
CID 134194378
(3-cyclohexa-1,3-dien-1-yl-2-methoxyphenyl)boronic acid;ethane
CID 144815761
12-cyclohexa-1,3-dien-1-yl-5-[(3Z)-hexa-1,3,5-trien-2-yl]-3-phenylbenzo[10]annulene;1-ethylcyclohexa-1,3-diene;5-[(3Z)-hexa-1,3,5-trien-2-yl]-3-phenylbenzo[10]annulene
CID 160843548
4-[10-(4-cyclohexa-1,3-dien-1-ylnaphthalen-1-yl)-1,2-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-ol
CID 163875328
1-cyclohexa-1,3-dien-1-yl-5H-benzo[b]phosphindole
CID 19043656
4-(12-cyclohexa-1,3-dien-1-ylbenzo[10]annulen-5-yl)pyrene
CID 123727351
1-(3-ethylidenehepta-1,4,6-trienyl)-4-naphthalen-1-ylnaphthalene
CID 123769075
N-[4-[4-[4-[4-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 145063466
2-cyclohexa-1,3-dien-1-yl-5-naphthalen-1-yl-N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 167235532
N-(4-cyclohexa-1,3-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline
CID 143269273
N-(2-cyclohexa-1,3-dien-1-yl-5-naphthalen-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 167235034

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,3-dien-1-yl-4-(3-ethylpenta-1,3-dienyl)naphthalene?
The IUPAC name of 1-cyclohexa-1,3-dien-1-yl-4-(3-ethylpenta-1,3-dienyl)naphthalene (CID 123183318) is 1-cyclohexa-1,3-dien-1-yl-4-(3-ethylpenta-1,3-dienyl)naphthalene.
What is the SMILES notation for 1-cyclohexa-1,3-dien-1-yl-4-(3-ethylpenta-1,3-dienyl)naphthalene?
The canonical SMILES for 1-cyclohexa-1,3-dien-1-yl-4-(3-ethylpenta-1,3-dienyl)naphthalene is CC=C(C=Cc1ccc(C2=CC=CCC2)c2ccccc12)CC.
What is the InChIKey of 1-cyclohexa-1,3-dien-1-yl-4-(3-ethylpenta-1,3-dienyl)naphthalene?
The InChIKey is KSXYFWGDLIAQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24/c1-3-18(4-2)14-15-20-16-17-22(19-10-6-5-7-11-19)23-13-9-8-12-21(20)23/h3,5-6,8-10,12-17H,4,7,11H2,1-2H3.
What are the key properties of 1-cyclohexa-1,3-dien-1-yl-4-(3-ethylpenta-1,3-dienyl)naphthalene?
1-cyclohexa-1,3-dien-1-yl-4-(3-ethylpenta-1,3-dienyl)naphthalene has a molecular weight of 300.45 g/mol, XLogP of 6.94, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,3-dien-1-yl-4-(3-ethylpenta-1,3-dienyl)naphthalene is sourced from PubChem (CID 123183318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).