2-but-3-enyl-6-[4-(2-but-3-enylphenyl)phenyl]naphthalene

C30H28 — CID 174448129

IUPAC2-but-3-enyl-6-[4-(2-but-3-enylphenyl)phenyl]naphthalene
SMILESC=CCCc1ccc2cc(-c3ccc(-c4ccccc4CCC=C)cc3)ccc2c1
InChIInChI=1S/C30H28/c1-3-5-9-23-13-14-29-22-28(20-19-27(29)21-23)24-15-17-26(18-16-24)30-12-8-7-11-25(30)10-6-4-2/h3-4,7-8,11-22H,1-2,5-6,9-10H2
InChIKeyRMSCLWPWDOLHDJ-UHFFFAOYSA-N
MW388.55 g/mol
LogP8.41
Rot. Bonds8

About 2-but-3-enyl-6-[4-(2-but-3-enylphenyl)phenyl]naphthalene

2-but-3-enyl-6-[4-(2-but-3-enylphenyl)phenyl]naphthalene (PubChem CID 174448129) has the molecular formula C30H28 and a molecular weight of 388.55 g/mol. Its IUPAC name is 2-but-3-enyl-6-[4-(2-but-3-enylphenyl)phenyl]naphthalene.

Molecular Properties

Compound Name2-but-3-enyl-6-[4-(2-but-3-enylphenyl)phenyl]naphthalene
PubChem CID174448129
Molecular FormulaC30H28
Molecular Weight388.55 g/mol
Exact Mass388.22
IUPAC Name2-but-3-enyl-6-[4-(2-but-3-enylphenyl)phenyl]naphthalene
SMILESC=CCCc1ccc2cc(-c3ccc(-c4ccccc4CCC=C)cc3)ccc2c1
InChIInChI=1S/C30H28/c1-3-5-9-23-13-14-29-22-28(20-19-27(29)21-23)24-15-17-26(18-16-24)30-12-8-7-11-25(30)10-6-4-2/h3-4,7-8,11-22H,1-2,5-6,9-10H2
InChIKeyRMSCLWPWDOLHDJ-UHFFFAOYSA-N
XLogP8.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.55
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-but-3-enyl-6-(4-pentylphenyl)naphthalene
CID 139860505
2-but-3-enyl-6-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene
CID 68533355
2-but-3-enyl-6-[3,5-difluoro-4-[3-fluoro-4-[2-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene
CID 87933948
2-but-3-enyl-6-[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]phenyl]-3-fluorophenyl]naphthalene;2-ethyl-6-[3-fluoro-4-(4-methoxyphenyl)phenyl]naphthalene
CID 159973625
2-dodec-11-enylnaphthalene
CID 101307470
7-but-3-enyl-3-(4-but-3-enylphenyl)-1,2,8-trifluoronaphthalene
CID 139861232
2-but-3-enyl-7-pent-4-enylphenanthrene
CID 139836962
2-(2-naphthalen-2-ylphenyl)ethanethiol
CID 176904325
2-(4-but-3-enylphenyl)-6-(3,3,3-trifluoroprop-1-ynyl)naphthalene
CID 138459100
7-but-3-enyl-3-(4-ethylphenyl)-1,2-difluoronaphthalene
CID 139862852
6-but-3-enyl-1-fluoro-2-[3-fluoro-4-[2-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene
CID 87488663
2-(2-butylphenyl)naphthalene
CID 58626566

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enyl-6-[4-(2-but-3-enylphenyl)phenyl]naphthalene?
The IUPAC name of 2-but-3-enyl-6-[4-(2-but-3-enylphenyl)phenyl]naphthalene (CID 174448129) is 2-but-3-enyl-6-[4-(2-but-3-enylphenyl)phenyl]naphthalene.
What is the SMILES notation for 2-but-3-enyl-6-[4-(2-but-3-enylphenyl)phenyl]naphthalene?
The canonical SMILES for 2-but-3-enyl-6-[4-(2-but-3-enylphenyl)phenyl]naphthalene is C=CCCc1ccc2cc(-c3ccc(-c4ccccc4CCC=C)cc3)ccc2c1.
What is the InChIKey of 2-but-3-enyl-6-[4-(2-but-3-enylphenyl)phenyl]naphthalene?
The InChIKey is RMSCLWPWDOLHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28/c1-3-5-9-23-13-14-29-22-28(20-19-27(29)21-23)24-15-17-26(18-16-24)30-12-8-7-11-25(30)10-6-4-2/h3-4,7-8,11-22H,1-2,5-6,9-10H2.
What are the key properties of 2-but-3-enyl-6-[4-(2-but-3-enylphenyl)phenyl]naphthalene?
2-but-3-enyl-6-[4-(2-but-3-enylphenyl)phenyl]naphthalene has a molecular weight of 388.55 g/mol, XLogP of 8.41, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-6-[4-(2-but-3-enylphenyl)phenyl]naphthalene is sourced from PubChem (CID 174448129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).