1-bromo-4-[6-(4-bromophenyl)hexa-1,3,5-trienyl]benzene

C18H14Br2 — CID 85439739

IUPAC1-bromo-4-[6-(4-bromophenyl)hexa-1,3,5-trienyl]benzene
SMILESBrc1ccc(C=CC=CC=Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C18H14Br2/c19-17-11-7-15(8-12-17)5-3-1-2-4-6-16-9-13-18(20)14-10-16/h1-14H
InChIKeyRWAQILZREJEBIG-UHFFFAOYSA-N
MW390.12 g/mol
LogP6.49
Rot. Bonds4

About 1-bromo-4-[6-(4-bromophenyl)hexa-1,3,5-trienyl]benzene

1-bromo-4-[6-(4-bromophenyl)hexa-1,3,5-trienyl]benzene (PubChem CID 85439739) has the molecular formula C18H14Br2 and a molecular weight of 390.12 g/mol. Its IUPAC name is 1-bromo-4-[6-(4-bromophenyl)hexa-1,3,5-trienyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[6-(4-bromophenyl)hexa-1,3,5-trienyl]benzene
PubChem CID85439739
Molecular FormulaC18H14Br2
Molecular Weight390.12 g/mol
Exact Mass387.95
IUPAC Name1-bromo-4-[6-(4-bromophenyl)hexa-1,3,5-trienyl]benzene
SMILESBrc1ccc(C=CC=CC=Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C18H14Br2/c19-17-11-7-15(8-12-17)5-3-1-2-4-6-16-9-13-18(20)14-10-16/h1-14H
InChIKeyRWAQILZREJEBIG-UHFFFAOYSA-N
XLogP6.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.12
LogP ≤ 56.49
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-(4-bromophenyl)penta-2,4-dienoic acid
CID 582037
4-[(E)-2-(4-bromophenyl)ethenyl]aniline
CID 165349864
(3E,5E)-6-(4-bromophenyl)-1,1,1-trifluorohexa-3,5-dien-2-one
CID 10780875
methyl (2E,4Z)-5-(4-bromophenyl)penta-2,4-dienoate
CID 92525134
1-bromo-4-[(E)-4-chlorobut-1-enyl]benzene
CID 82085965
4-[6-(4-hydroxyphenyl)hexa-1,3,5-trienyl]phenol
CID 73020850
(E)-3-[4-[(1E,3E,5E)-6-[4-[(E)-3-oxoprop-1-enyl]phenyl]hexa-1,3,5-trienyl]phenyl]prop-2-enal
CID 10427370
2,7-bis[2-(4-bromophenyl)ethenyl]naphthalene
CID 71410772
(E)-3-(4-bromophenyl)-N-phenylprop-2-en-1-imine
CID 135076458
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219
(Z)-3-(4-bromophenyl)prop-2-en-1-amine
CID 124584834
1-bromo-4-(2-methylsulfanylethenyl)benzene
CID 86218693

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[6-(4-bromophenyl)hexa-1,3,5-trienyl]benzene?
The IUPAC name of 1-bromo-4-[6-(4-bromophenyl)hexa-1,3,5-trienyl]benzene (CID 85439739) is 1-bromo-4-[6-(4-bromophenyl)hexa-1,3,5-trienyl]benzene.
What is the SMILES notation for 1-bromo-4-[6-(4-bromophenyl)hexa-1,3,5-trienyl]benzene?
The canonical SMILES for 1-bromo-4-[6-(4-bromophenyl)hexa-1,3,5-trienyl]benzene is Brc1ccc(C=CC=CC=Cc2ccc(Br)cc2)cc1.
What is the InChIKey of 1-bromo-4-[6-(4-bromophenyl)hexa-1,3,5-trienyl]benzene?
The InChIKey is RWAQILZREJEBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Br2/c19-17-11-7-15(8-12-17)5-3-1-2-4-6-16-9-13-18(20)14-10-16/h1-14H.
What are the key properties of 1-bromo-4-[6-(4-bromophenyl)hexa-1,3,5-trienyl]benzene?
1-bromo-4-[6-(4-bromophenyl)hexa-1,3,5-trienyl]benzene has a molecular weight of 390.12 g/mol, XLogP of 6.49, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[6-(4-bromophenyl)hexa-1,3,5-trienyl]benzene is sourced from PubChem (CID 85439739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).