6-bromo-2,3-bis(ethenyl)-1,4-diphenylnaphthalene

C26H19Br — CID 123580196

IUPAC6-bromo-2,3-bis(ethenyl)-1,4-diphenylnaphthalene
SMILESC=Cc1c(C=C)c(-c2ccccc2)c2cc(Br)ccc2c1-c1ccccc1
InChIInChI=1S/C26H19Br/c1-3-21-22(4-2)26(19-13-9-6-10-14-19)24-17-20(27)15-16-23(24)25(21)18-11-7-5-8-12-18/h3-17H,1-2H2
InChIKeyMHBNSTYMJJMIMP-UHFFFAOYSA-N
MW411.34 g/mol
LogP8.22
Rot. Bonds4

About 6-bromo-2,3-bis(ethenyl)-1,4-diphenylnaphthalene

6-bromo-2,3-bis(ethenyl)-1,4-diphenylnaphthalene (PubChem CID 123580196) has the molecular formula C26H19Br and a molecular weight of 411.34 g/mol. Its IUPAC name is 6-bromo-2,3-bis(ethenyl)-1,4-diphenylnaphthalene.

Molecular Properties

Compound Name6-bromo-2,3-bis(ethenyl)-1,4-diphenylnaphthalene
PubChem CID123580196
Molecular FormulaC26H19Br
Molecular Weight411.34 g/mol
Exact Mass410.07
IUPAC Name6-bromo-2,3-bis(ethenyl)-1,4-diphenylnaphthalene
SMILESC=Cc1c(C=C)c(-c2ccccc2)c2cc(Br)ccc2c1-c1ccccc1
InChIInChI=1S/C26H19Br/c1-3-21-22(4-2)26(19-13-9-6-10-14-19)24-17-20(27)15-16-23(24)25(21)18-11-7-5-8-12-18/h3-17H,1-2H2
InChIKeyMHBNSTYMJJMIMP-UHFFFAOYSA-N
XLogP8.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.34
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-bromo-9,10-diphenylanthracene
CID 22247163
CID 158760527
CID 158760527
CID 89363950
CID 89363950
10-(4-bromophenyl)-2,9-diphenylanthracene
CID 130365947
7-bromo-4-methyl-1,2-diphenylnaphthalene
CID 166066890
1-[2,3-bis(ethenyl)-4-phenylphenyl]-2,3-bis(ethenyl)-4-phenylnaphthalene;ethane
CID 145309553
1-bromo-2-ethenyl-3,4,5-triphenylbenzene
CID 175315549
3,9-dibromo-7,12-diphenylbenzo[k]fluoranthene
CID 71071926
17-bromo-10,10-dimethyl-14,21-bis(4-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 58175387
9-bromo-10-(10-phenylanthracen-9-yl)anthracene;9-(4-bromophenyl)-10-phenylanthracene;9-[4-(4-ethenylphenyl)phenyl]-10-phenylanthracene
CID 158287393
2-bromo-9,10-bis(4-naphthalen-2-ylphenyl)anthracene
CID 58121670
2-[6,7-bis(ethenyl)-5,8-diphenylnaphthalen-2-yl]-5-(4-phenylphenyl)phenanthridin-6-one
CID 142363203

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,3-bis(ethenyl)-1,4-diphenylnaphthalene?
The IUPAC name of 6-bromo-2,3-bis(ethenyl)-1,4-diphenylnaphthalene (CID 123580196) is 6-bromo-2,3-bis(ethenyl)-1,4-diphenylnaphthalene.
What is the SMILES notation for 6-bromo-2,3-bis(ethenyl)-1,4-diphenylnaphthalene?
The canonical SMILES for 6-bromo-2,3-bis(ethenyl)-1,4-diphenylnaphthalene is C=Cc1c(C=C)c(-c2ccccc2)c2cc(Br)ccc2c1-c1ccccc1.
What is the InChIKey of 6-bromo-2,3-bis(ethenyl)-1,4-diphenylnaphthalene?
The InChIKey is MHBNSTYMJJMIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19Br/c1-3-21-22(4-2)26(19-13-9-6-10-14-19)24-17-20(27)15-16-23(24)25(21)18-11-7-5-8-12-18/h3-17H,1-2H2.
What are the key properties of 6-bromo-2,3-bis(ethenyl)-1,4-diphenylnaphthalene?
6-bromo-2,3-bis(ethenyl)-1,4-diphenylnaphthalene has a molecular weight of 411.34 g/mol, XLogP of 8.22, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,3-bis(ethenyl)-1,4-diphenylnaphthalene is sourced from PubChem (CID 123580196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).