5-[4-(2-cyclohexa-1,3-dien-1-yl-1,2-diphenylethenyl)cyclohexa-1,3-dien-1-yl]-2,3-dihydronaphthalene

C36H32 — CID 123205751

IUPAC5-[4-(2-cyclohexa-1,3-dien-1-yl-1,2-diphenylethenyl)cyclohexa-1,3-dien-1-yl]-2,3-dihydronaphthalene
SMILESC1=CCCC(C(=C(C2=CC=C(c3cccc4c3=CCCC=4)CC2)c2ccccc2)c2ccccc2)=C1
InChIInChI=1S/C36H32/c1-4-14-29(15-5-1)35(30-16-6-2-7-17-30)36(31-18-8-3-9-19-31)32-25-23-28(24-26-32)34-22-12-20-27-13-10-11-21-33(27)34/h1-6,8-9,12-16,18-23,25H,7,10-11,17,24,26H2
InChIKeySXTBDOWZHQADLL-UHFFFAOYSA-N
MW464.65 g/mol
LogP8.03
Rot. Bonds5

About 5-[4-(2-cyclohexa-1,3-dien-1-yl-1,2-diphenylethenyl)cyclohexa-1,3-dien-1-yl]-2,3-dihydronaphthalene

5-[4-(2-cyclohexa-1,3-dien-1-yl-1,2-diphenylethenyl)cyclohexa-1,3-dien-1-yl]-2,3-dihydronaphthalene (PubChem CID 123205751) has the molecular formula C36H32 and a molecular weight of 464.65 g/mol. Its IUPAC name is 5-[4-(2-cyclohexa-1,3-dien-1-yl-1,2-diphenylethenyl)cyclohexa-1,3-dien-1-yl]-2,3-dihydronaphthalene.

Molecular Properties

Compound Name5-[4-(2-cyclohexa-1,3-dien-1-yl-1,2-diphenylethenyl)cyclohexa-1,3-dien-1-yl]-2,3-dihydronaphthalene
PubChem CID123205751
Molecular FormulaC36H32
Molecular Weight464.65 g/mol
Exact Mass464.25
IUPAC Name5-[4-(2-cyclohexa-1,3-dien-1-yl-1,2-diphenylethenyl)cyclohexa-1,3-dien-1-yl]-2,3-dihydronaphthalene
SMILESC1=CCCC(C(=C(C2=CC=C(c3cccc4c3=CCCC=4)CC2)c2ccccc2)c2ccccc2)=C1
InChIInChI=1S/C36H32/c1-4-14-29(15-5-1)35(30-16-6-2-7-17-30)36(31-18-8-3-9-19-31)32-25-23-28(24-26-32)34-22-12-20-27-13-10-11-21-33(27)34/h1-6,8-9,12-16,18-23,25H,7,10-11,17,24,26H2
InChIKeySXTBDOWZHQADLL-UHFFFAOYSA-N
XLogP8.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.65
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-[4-(3,4,4a,5-tetrahydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-10-(6,7-dihydronaphthalen-1-yl)anthracene
CID 123406834
cyclohexa-1,3-diene-1-carbonyl benzenecarboperoxoate
CID 118054583
(Z)-1-cyclohexa-1,3-dien-1-yl-2-(3-propan-2-ylphenyl)ethene-1,2-dithiol
CID 153336613
cyclohexa-1,3-dien-1-yl-[4-(4-ethylphenyl)cyclohexa-1,3-dien-1-yl]methanone
CID 66920697
4-(12-cyclohexa-1,3-dien-1-ylbenzo[10]annulen-5-yl)pyrene
CID 123727351
3-N'-(benzenecarbonothioyl)-1-N'-(cyclohexa-1,3-diene-1-carbothioyl)-1-N',3-N'-dimethylpropanedihydrazide
CID 89295743
1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene
CID 123265998
cyclohexa-1,3-diene-1-carboxylic acid;iron;hydrochloride
CID 67301539
(3-cyclohexa-1,3-dien-1-yl-2-methoxyphenyl)boronic acid;ethane
CID 144815761
N-[(E)-2-benzoyl-3-cyclohexa-1,3-dien-1-yl-3-hydroxyprop-2-enylidene]pyridine-4-carbothioamide
CID 135442848
N-[(Z)-2-benzoyl-3-cyclohexa-1,3-dien-1-yl-3-hydroxyprop-2-enylidene]pyridine-4-carbothioamide
CID 135759968
4-[10-(4-cyclohexa-1,3-dien-1-ylnaphthalen-1-yl)-1,2-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-ol
CID 163875328

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-cyclohexa-1,3-dien-1-yl-1,2-diphenylethenyl)cyclohexa-1,3-dien-1-yl]-2,3-dihydronaphthalene?
The IUPAC name of 5-[4-(2-cyclohexa-1,3-dien-1-yl-1,2-diphenylethenyl)cyclohexa-1,3-dien-1-yl]-2,3-dihydronaphthalene (CID 123205751) is 5-[4-(2-cyclohexa-1,3-dien-1-yl-1,2-diphenylethenyl)cyclohexa-1,3-dien-1-yl]-2,3-dihydronaphthalene.
What is the SMILES notation for 5-[4-(2-cyclohexa-1,3-dien-1-yl-1,2-diphenylethenyl)cyclohexa-1,3-dien-1-yl]-2,3-dihydronaphthalene?
The canonical SMILES for 5-[4-(2-cyclohexa-1,3-dien-1-yl-1,2-diphenylethenyl)cyclohexa-1,3-dien-1-yl]-2,3-dihydronaphthalene is C1=CCCC(C(=C(C2=CC=C(c3cccc4c3=CCCC=4)CC2)c2ccccc2)c2ccccc2)=C1.
What is the InChIKey of 5-[4-(2-cyclohexa-1,3-dien-1-yl-1,2-diphenylethenyl)cyclohexa-1,3-dien-1-yl]-2,3-dihydronaphthalene?
The InChIKey is SXTBDOWZHQADLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32/c1-4-14-29(15-5-1)35(30-16-6-2-7-17-30)36(31-18-8-3-9-19-31)32-25-23-28(24-26-32)34-22-12-20-27-13-10-11-21-33(27)34/h1-6,8-9,12-16,18-23,25H,7,10-11,17,24,26H2.
What are the key properties of 5-[4-(2-cyclohexa-1,3-dien-1-yl-1,2-diphenylethenyl)cyclohexa-1,3-dien-1-yl]-2,3-dihydronaphthalene?
5-[4-(2-cyclohexa-1,3-dien-1-yl-1,2-diphenylethenyl)cyclohexa-1,3-dien-1-yl]-2,3-dihydronaphthalene has a molecular weight of 464.65 g/mol, XLogP of 8.03, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-cyclohexa-1,3-dien-1-yl-1,2-diphenylethenyl)cyclohexa-1,3-dien-1-yl]-2,3-dihydronaphthalene is sourced from PubChem (CID 123205751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).