5-(3-bromophenyl)acenaphthylene

C18H11Br — CID 71084450

IUPAC5-(3-bromophenyl)acenaphthylene
SMILESBrc1cccc(-c2ccc3c4c(cccc24)C=C3)c1
InChIInChI=1S/C18H11Br/c19-15-5-1-4-14(11-15)16-10-9-13-8-7-12-3-2-6-17(16)18(12)13/h1-11H
InChIKeyMJJLURMCHOFHEW-UHFFFAOYSA-N
MW307.19 g/mol
LogP5.75
Rot. Bonds1

About 5-(3-bromophenyl)acenaphthylene

5-(3-bromophenyl)acenaphthylene (PubChem CID 71084450) has the molecular formula C18H11Br and a molecular weight of 307.19 g/mol. Its IUPAC name is 5-(3-bromophenyl)acenaphthylene.

Molecular Properties

Compound Name5-(3-bromophenyl)acenaphthylene
PubChem CID71084450
Molecular FormulaC18H11Br
Molecular Weight307.19 g/mol
Exact Mass306.00
IUPAC Name5-(3-bromophenyl)acenaphthylene
SMILESBrc1cccc(-c2ccc3c4c(cccc24)C=C3)c1
InChIInChI=1S/C18H11Br/c19-15-5-1-4-14(11-15)16-10-9-13-8-7-12-3-2-6-17(16)18(12)13/h1-11H
InChIKeyMJJLURMCHOFHEW-UHFFFAOYSA-N
XLogP5.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.19
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-acenaphthylen-5-ylacenaphthylene
CID 14931397
2-(3-bromophenyl)bicyclo[4.2.0]octa-1(6),2,4,7-tetraene
CID 66890486
3-(3-bromophenyl)-7,8-dihydrofluoranthene
CID 144508418
9-[4-(3-bromophenyl)phenyl]-10-phenylanthracene
CID 86607954
1-(6-bromonaphthalen-2-yl)pyrene
CID 58894948
3,6,14,16-tetrakis(3-bromophenyl)-4-phenylhexacyclo[10.9.2.02,7.08,23.013,17.018,22]tricosa-1(22),2,4,6,8(23),9,11,13,16,18,20-undecaen-15-one
CID 118065875
3,5-bis(3-bromophenyl)pentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2,5,7,9,11(19),12,14(18),15-nonaen-4-one
CID 88948959
7,8,9,10-tetraphenyl-3-[7-(7,8,9,10-tetraphenylfluoranthen-3-yl)naphthalen-2-yl]fluoranthene
CID 59805110
2-bromo-8-fluoranthen-3-yldibenzofuran
CID 129100178
9-[2-(3-bromophenyl)phenyl]phenanthrene
CID 144984920
3-(3-bromophenyl)phenanthrene
CID 58194169
3-[3-[3-(4-phenylphenyl)phenyl]phenyl]fluoranthene
CID 58995572

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)acenaphthylene?
The IUPAC name of 5-(3-bromophenyl)acenaphthylene (CID 71084450) is 5-(3-bromophenyl)acenaphthylene.
What is the SMILES notation for 5-(3-bromophenyl)acenaphthylene?
The canonical SMILES for 5-(3-bromophenyl)acenaphthylene is Brc1cccc(-c2ccc3c4c(cccc24)C=C3)c1.
What is the InChIKey of 5-(3-bromophenyl)acenaphthylene?
The InChIKey is MJJLURMCHOFHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Br/c19-15-5-1-4-14(11-15)16-10-9-13-8-7-12-3-2-6-17(16)18(12)13/h1-11H.
What are the key properties of 5-(3-bromophenyl)acenaphthylene?
5-(3-bromophenyl)acenaphthylene has a molecular weight of 307.19 g/mol, XLogP of 5.75, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)acenaphthylene is sourced from PubChem (CID 71084450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).