2-bromo-1-[(Z)-2-(2-bromo-4-pentylphenyl)ethenyl]-4-pentylbenzene

C24H30Br2 — CID 134887709

IUPAC2-bromo-1-[(Z)-2-(2-bromo-4-pentylphenyl)ethenyl]-4-pentylbenzene
SMILESCCCCCc1ccc(/C=C\c2ccc(CCCCC)cc2Br)c(Br)c1
InChIInChI=1S/C24H30Br2/c1-3-5-7-9-19-11-13-21(23(25)17-19)15-16-22-14-12-20(18-24(22)26)10-8-6-4-2/h11-18H,3-10H2,1-2H3/b16-15-
InChIKeyURKDBWYZNYNPLX-NXVVXOECSA-N
MW478.31 g/mol
LogP8.85
Rot. Bonds10

About 2-bromo-1-[(Z)-2-(2-bromo-4-pentylphenyl)ethenyl]-4-pentylbenzene

2-bromo-1-[(Z)-2-(2-bromo-4-pentylphenyl)ethenyl]-4-pentylbenzene (PubChem CID 134887709) has the molecular formula C24H30Br2 and a molecular weight of 478.31 g/mol. Its IUPAC name is 2-bromo-1-[(Z)-2-(2-bromo-4-pentylphenyl)ethenyl]-4-pentylbenzene.

Molecular Properties

Compound Name2-bromo-1-[(Z)-2-(2-bromo-4-pentylphenyl)ethenyl]-4-pentylbenzene
PubChem CID134887709
Molecular FormulaC24H30Br2
Molecular Weight478.31 g/mol
Exact Mass476.07
IUPAC Name2-bromo-1-[(Z)-2-(2-bromo-4-pentylphenyl)ethenyl]-4-pentylbenzene
SMILESCCCCCc1ccc(/C=C\c2ccc(CCCCC)cc2Br)c(Br)c1
InChIInChI=1S/C24H30Br2/c1-3-5-7-9-19-11-13-21(23(25)17-19)15-16-22-14-12-20(18-24(22)26)10-8-6-4-2/h11-18H,3-10H2,1-2H3/b16-15-
InChIKeyURKDBWYZNYNPLX-NXVVXOECSA-N
XLogP8.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.31
LogP ≤ 58.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2-dibromo-4-hexylbenzene
CID 54422362
2-bromo-1-fluoro-4-pentylbenzene
CID 155293840
2-bromo-1-fluoro-4-undecylbenzene
CID 10958447
2-bromo-1-ethoxy-4-pentylbenzene
CID 171368096
2-bromo-4-pentylbenzoic acid
CID 15327817
2-bromo-4-butyl-1-chlorobenzene
CID 50997862
2,4-dipentylbenzaldehyde
CID 19008550
2-bromo-4-(4-bromobutyl)benzaldehyde
CID 18374470
1,2-bis(bromomethyl)-4-decylbenzene
CID 139761482
9,10-dibromo-2,6-didecylanthracene
CID 141357715
1-bromo-4-dodecylbenzene
CID 15120506
1-bromo-4-hexadecylbenzene
CID 598602

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[(Z)-2-(2-bromo-4-pentylphenyl)ethenyl]-4-pentylbenzene?
The IUPAC name of 2-bromo-1-[(Z)-2-(2-bromo-4-pentylphenyl)ethenyl]-4-pentylbenzene (CID 134887709) is 2-bromo-1-[(Z)-2-(2-bromo-4-pentylphenyl)ethenyl]-4-pentylbenzene.
What is the SMILES notation for 2-bromo-1-[(Z)-2-(2-bromo-4-pentylphenyl)ethenyl]-4-pentylbenzene?
The canonical SMILES for 2-bromo-1-[(Z)-2-(2-bromo-4-pentylphenyl)ethenyl]-4-pentylbenzene is CCCCCc1ccc(/C=C\c2ccc(CCCCC)cc2Br)c(Br)c1.
What is the InChIKey of 2-bromo-1-[(Z)-2-(2-bromo-4-pentylphenyl)ethenyl]-4-pentylbenzene?
The InChIKey is URKDBWYZNYNPLX-NXVVXOECSA-N. The full InChI is InChI=1S/C24H30Br2/c1-3-5-7-9-19-11-13-21(23(25)17-19)15-16-22-14-12-20(18-24(22)26)10-8-6-4-2/h11-18H,3-10H2,1-2H3/b16-15-.
What are the key properties of 2-bromo-1-[(Z)-2-(2-bromo-4-pentylphenyl)ethenyl]-4-pentylbenzene?
2-bromo-1-[(Z)-2-(2-bromo-4-pentylphenyl)ethenyl]-4-pentylbenzene has a molecular weight of 478.31 g/mol, XLogP of 8.85, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[(Z)-2-(2-bromo-4-pentylphenyl)ethenyl]-4-pentylbenzene is sourced from PubChem (CID 134887709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).