1,4-bis[2-(4-butylphenyl)-1,2-difluoroethenyl]naphthalene

C34H32F4 — CID 77486558

IUPAC1,4-bis[2-(4-butylphenyl)-1,2-difluoroethenyl]naphthalene
SMILESCCCCc1ccc(C(F)=C(F)c2ccc(C(F)=C(F)c3ccc(CCCC)cc3)c3ccccc23)cc1
InChIInChI=1S/C34H32F4/c1-3-5-9-23-13-17-25(18-14-23)31(35)33(37)29-21-22-30(28-12-8-7-11-27(28)29)34(38)32(36)26-19-15-24(16-20-26)10-6-4-2/h7-8,11-22H,3-6,9-10H2,1-2H3
InChIKeyCXYNOVCVTWMJNH-UHFFFAOYSA-N
MW516.62 g/mol
LogP11.05
Rot. Bonds10

About 1,4-bis[2-(4-butylphenyl)-1,2-difluoroethenyl]naphthalene

1,4-bis[2-(4-butylphenyl)-1,2-difluoroethenyl]naphthalene (PubChem CID 77486558) has the molecular formula C34H32F4 and a molecular weight of 516.62 g/mol. Its IUPAC name is 1,4-bis[2-(4-butylphenyl)-1,2-difluoroethenyl]naphthalene.

Molecular Properties

Compound Name1,4-bis[2-(4-butylphenyl)-1,2-difluoroethenyl]naphthalene
PubChem CID77486558
Molecular FormulaC34H32F4
Molecular Weight516.62 g/mol
Exact Mass516.24
IUPAC Name1,4-bis[2-(4-butylphenyl)-1,2-difluoroethenyl]naphthalene
SMILESCCCCc1ccc(C(F)=C(F)c2ccc(C(F)=C(F)c3ccc(CCCC)cc3)c3ccccc23)cc1
InChIInChI=1S/C34H32F4/c1-3-5-9-23-13-17-25(18-14-23)31(35)33(37)29-21-22-30(28-12-8-7-11-27(28)29)34(38)32(36)26-19-15-24(16-20-26)10-6-4-2/h7-8,11-22H,3-6,9-10H2,1-2H3
InChIKeyCXYNOVCVTWMJNH-UHFFFAOYSA-N
XLogP11.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.62
LogP ≤ 511.05
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

1-[2-(4-butylphenyl)ethynyl]-4-[(E)-1,2-difluoro-2-(3,4,5-trifluorophenyl)ethenyl]naphthalene
CID 70896347
1-[(E)-1,2-difluoro-2-(4-heptylphenyl)ethenyl]-4-(4-nonylphenyl)benzene
CID 101164574
1-(4-butylphenyl)-4-[(E)-2-(4-ethoxy-2,3-difluorophenyl)-1,2-difluoroethenyl]naphthalene
CID 70935174
1-[(E)-2-(4-ethylphenyl)-1,2-difluoroethenyl]-2-fluoro-4-pentylbenzene
CID 139790705
2-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-6-pentylnaphthalene
CID 139862213
1-decyl-4-[2-[4-[(E)-1,2-difluoronon-1-enyl]phenyl]ethyl]benzene
CID 70029827
1-butyl-4-[3-(4-butylphenyl)buta-1,3-dien-2-yl]benzene
CID 122396068
butylbenzene;hydroxylamine
CID 175142403
1-[(E)-1,2-difluoronon-1-enyl]-4-(4-nonylphenyl)benzene
CID 70184913
1-[(E)-2-(4-ethylphenyl)-1,2-difluoroethenyl]-2-fluoro-4-propylbenzene
CID 139790762
1-[(Z)-1,2-difluoronon-1-enyl]-4-(4-nonylphenyl)benzene
CID 22123920
1-butyl-4-[(3Z)-5-(4-ethylphenyl)-3,4-difluorohexa-1,3,5-trien-2-yl]benzene
CID 118911708

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[2-(4-butylphenyl)-1,2-difluoroethenyl]naphthalene?
The IUPAC name of 1,4-bis[2-(4-butylphenyl)-1,2-difluoroethenyl]naphthalene (CID 77486558) is 1,4-bis[2-(4-butylphenyl)-1,2-difluoroethenyl]naphthalene.
What is the SMILES notation for 1,4-bis[2-(4-butylphenyl)-1,2-difluoroethenyl]naphthalene?
The canonical SMILES for 1,4-bis[2-(4-butylphenyl)-1,2-difluoroethenyl]naphthalene is CCCCc1ccc(C(F)=C(F)c2ccc(C(F)=C(F)c3ccc(CCCC)cc3)c3ccccc23)cc1.
What is the InChIKey of 1,4-bis[2-(4-butylphenyl)-1,2-difluoroethenyl]naphthalene?
The InChIKey is CXYNOVCVTWMJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32F4/c1-3-5-9-23-13-17-25(18-14-23)31(35)33(37)29-21-22-30(28-12-8-7-11-27(28)29)34(38)32(36)26-19-15-24(16-20-26)10-6-4-2/h7-8,11-22H,3-6,9-10H2,1-2H3.
What are the key properties of 1,4-bis[2-(4-butylphenyl)-1,2-difluoroethenyl]naphthalene?
1,4-bis[2-(4-butylphenyl)-1,2-difluoroethenyl]naphthalene has a molecular weight of 516.62 g/mol, XLogP of 11.05, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[2-(4-butylphenyl)-1,2-difluoroethenyl]naphthalene is sourced from PubChem (CID 77486558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).