3-(3-bromophenyl)-7,8-dihydrofluoranthene

C22H15Br — CID 144508418

IUPAC3-(3-bromophenyl)-7,8-dihydrofluoranthene
SMILESBrc1cccc(-c2ccc3c4c(cccc24)C2=C3C=CCC2)c1
InChIInChI=1S/C22H15Br/c23-15-6-3-5-14(13-15)16-11-12-21-18-8-2-1-7-17(18)20-10-4-9-19(16)22(20)21/h2-6,8-13H,1,7H2
InChIKeyUIABSIKXBCZAID-UHFFFAOYSA-N
MW359.27 g/mol
LogP6.84
Rot. Bonds1

About 3-(3-bromophenyl)-7,8-dihydrofluoranthene

3-(3-bromophenyl)-7,8-dihydrofluoranthene (PubChem CID 144508418) has the molecular formula C22H15Br and a molecular weight of 359.27 g/mol. Its IUPAC name is 3-(3-bromophenyl)-7,8-dihydrofluoranthene.

Molecular Properties

Compound Name3-(3-bromophenyl)-7,8-dihydrofluoranthene
PubChem CID144508418
Molecular FormulaC22H15Br
Molecular Weight359.27 g/mol
Exact Mass358.04
IUPAC Name3-(3-bromophenyl)-7,8-dihydrofluoranthene
SMILESBrc1cccc(-c2ccc3c4c(cccc24)C2=C3C=CCC2)c1
InChIInChI=1S/C22H15Br/c23-15-6-3-5-14(13-15)16-11-12-21-18-8-2-1-7-17(18)20-10-4-9-19(16)22(20)21/h2-6,8-13H,1,7H2
InChIKeyUIABSIKXBCZAID-UHFFFAOYSA-N
XLogP6.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.27
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-(3-bromophenyl)acenaphthylene
CID 71084450
27-azaheptacyclo[12.11.1.13,25.02,7.08,13.018,26.019,24]heptacosa-1(25),2(7),3,5,8(13),11,14,16,18(26),19,21,23-dodecaene
CID 155151386
2-(2-phenylcyclohexa-1,5-dien-1-yl)benzenethiol
CID 170288323
6-(3-bromophenyl)-1,2-dihydronaphthalene
CID 143742430
2-bromo-8-fluoranthen-3-yldibenzofuran
CID 129100178
2-(2-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)-6-(2-naphthalen-1-ylphenyl)anthracene
CID 143886257
butane;(Z)-but-2-ene;3-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),16,19,21-decaen-5-yl)-9-(3-phenylphenyl)carbazole
CID 142293100
2-(3-bromophenyl)bicyclo[4.2.0]octa-1(6),2,4,7-tetraene
CID 66890486
3-[3-[3-(4-phenylphenyl)phenyl]phenyl]fluoranthene
CID 58995572
9-[2-(3-bromophenyl)phenyl]phenanthrene
CID 144984920
9-dibenzothiophen-3-yl-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),16,19,21-decaen-5-yl)carbazole;prop-1-ene
CID 142292975
4-[[2-(2-anthracen-1-ylcyclohexa-1,3-dien-1-yl)-5-cyclohexa-1,3-dien-1-ylphenyl]methyl]pyrene
CID 123459591

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-7,8-dihydrofluoranthene?
The IUPAC name of 3-(3-bromophenyl)-7,8-dihydrofluoranthene (CID 144508418) is 3-(3-bromophenyl)-7,8-dihydrofluoranthene.
What is the SMILES notation for 3-(3-bromophenyl)-7,8-dihydrofluoranthene?
The canonical SMILES for 3-(3-bromophenyl)-7,8-dihydrofluoranthene is Brc1cccc(-c2ccc3c4c(cccc24)C2=C3C=CCC2)c1.
What is the InChIKey of 3-(3-bromophenyl)-7,8-dihydrofluoranthene?
The InChIKey is UIABSIKXBCZAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Br/c23-15-6-3-5-14(13-15)16-11-12-21-18-8-2-1-7-17(18)20-10-4-9-19(16)22(20)21/h2-6,8-13H,1,7H2.
What are the key properties of 3-(3-bromophenyl)-7,8-dihydrofluoranthene?
3-(3-bromophenyl)-7,8-dihydrofluoranthene has a molecular weight of 359.27 g/mol, XLogP of 6.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-7,8-dihydrofluoranthene is sourced from PubChem (CID 144508418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).