9-bromo-7,7-dimethylbenzo[a]phenalene

C19H15Br — CID 118532943

IUPAC9-bromo-7,7-dimethylbenzo[a]phenalene
SMILESCC1(C)c2cc(Br)ccc2-c2cccc3cccc1c23
InChIInChI=1S/C19H15Br/c1-19(2)16-8-4-6-12-5-3-7-15(18(12)16)14-10-9-13(20)11-17(14)19/h3-11H,1-2H3
InChIKeyOFAIVSCXKJAXHT-UHFFFAOYSA-N
MW323.23 g/mol
LogP5.91
Rot. Bonds

About 9-bromo-7,7-dimethylbenzo[a]phenalene

9-bromo-7,7-dimethylbenzo[a]phenalene (PubChem CID 118532943) has the molecular formula C19H15Br and a molecular weight of 323.23 g/mol. Its IUPAC name is 9-bromo-7,7-dimethylbenzo[a]phenalene.

Molecular Properties

Compound Name9-bromo-7,7-dimethylbenzo[a]phenalene
PubChem CID118532943
Molecular FormulaC19H15Br
Molecular Weight323.23 g/mol
Exact Mass322.04
IUPAC Name9-bromo-7,7-dimethylbenzo[a]phenalene
SMILESCC1(C)c2cc(Br)ccc2-c2cccc3cccc1c23
InChIInChI=1S/C19H15Br/c1-19(2)16-8-4-6-12-5-3-7-15(18(12)16)14-10-9-13(20)11-17(14)19/h3-11H,1-2H3
InChIKeyOFAIVSCXKJAXHT-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.23
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(7-bromo-9,9-dimethylfluoren-2-yl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 118532837
10-[3-(3-bromophenyl)phenyl]-7,7-dimethylbenzo[a]phenalene
CID 118532981
2-bromo-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58939597
9-bromo-7,7-dimethyl-3-propylbenzo[a]phenalene;7,7-dimethyl-3-propylbenzo[a]phenalene
CID 158571367
9-bromo-7-(8-phenylnaphthalen-1-yl)benzo[a]phenalen-7-ol
CID 176723096
7-bromo-10,10-dimethyl-14,21-dinaphthalen-1-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene
CID 87380668
6-(7-bromo-9,9-dimethylfluoren-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]
CID 145144830
2-bromo-9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluorene
CID 66667960
2-bromo-9,9-bis(9,9-dimethylfluoren-2-yl)fluorene
CID 118245876
bromomethane;2,7-dibromo-9,9-dimethylfluorene;9,9-dimethylfluorene;9H-fluorene;molecular bromine
CID 159345620
3-(7-bromo-9,9-dimethylfluoren-2-yl)spiro[benzo[a]fluorene-11,9'-fluorene]
CID 145144872
7,9-dichloro-5,5,15,15-tetramethylhexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(23),2,4(12),6(11),7,9,13,16,18,20(24),21-undecaene
CID 138461897

Frequently Asked Questions

What is the IUPAC name of 9-bromo-7,7-dimethylbenzo[a]phenalene?
The IUPAC name of 9-bromo-7,7-dimethylbenzo[a]phenalene (CID 118532943) is 9-bromo-7,7-dimethylbenzo[a]phenalene.
What is the SMILES notation for 9-bromo-7,7-dimethylbenzo[a]phenalene?
The canonical SMILES for 9-bromo-7,7-dimethylbenzo[a]phenalene is CC1(C)c2cc(Br)ccc2-c2cccc3cccc1c23.
What is the InChIKey of 9-bromo-7,7-dimethylbenzo[a]phenalene?
The InChIKey is OFAIVSCXKJAXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Br/c1-19(2)16-8-4-6-12-5-3-7-15(18(12)16)14-10-9-13(20)11-17(14)19/h3-11H,1-2H3.
What are the key properties of 9-bromo-7,7-dimethylbenzo[a]phenalene?
9-bromo-7,7-dimethylbenzo[a]phenalene has a molecular weight of 323.23 g/mol, XLogP of 5.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-7,7-dimethylbenzo[a]phenalene is sourced from PubChem (CID 118532943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).