9-bromo-7-(8-phenylnaphthalen-1-yl)benzo[a]phenalen-7-ol

C33H21BrO — CID 176723096

IUPAC9-bromo-7-(8-phenylnaphthalen-1-yl)benzo[a]phenalen-7-ol
SMILESOC1(c2cccc3cccc(-c4ccccc4)c23)c2cc(Br)ccc2-c2cccc3cccc1c23
InChIInChI=1S/C33H21BrO/c34-24-18-19-26-27-15-5-11-23-13-7-17-29(32(23)27)33(35,30(26)20-24)28-16-6-12-22-10-4-14-25(31(22)28)21-8-2-1-3-9-21/h1-20,35H
InChIKeyBQIRETLOJHINMZ-UHFFFAOYSA-N
MW513.43 g/mol
LogP8.69
Rot. Bonds2

About 9-bromo-7-(8-phenylnaphthalen-1-yl)benzo[a]phenalen-7-ol

9-bromo-7-(8-phenylnaphthalen-1-yl)benzo[a]phenalen-7-ol (PubChem CID 176723096) has the molecular formula C33H21BrO and a molecular weight of 513.43 g/mol. Its IUPAC name is 9-bromo-7-(8-phenylnaphthalen-1-yl)benzo[a]phenalen-7-ol.

Molecular Properties

Compound Name9-bromo-7-(8-phenylnaphthalen-1-yl)benzo[a]phenalen-7-ol
PubChem CID176723096
Molecular FormulaC33H21BrO
Molecular Weight513.43 g/mol
Exact Mass512.08
IUPAC Name9-bromo-7-(8-phenylnaphthalen-1-yl)benzo[a]phenalen-7-ol
SMILESOC1(c2cccc3cccc(-c4ccccc4)c23)c2cc(Br)ccc2-c2cccc3cccc1c23
InChIInChI=1S/C33H21BrO/c34-24-18-19-26-27-15-5-11-23-13-7-17-29(32(23)27)33(35,30(26)20-24)28-16-6-12-22-10-4-14-25(31(22)28)21-8-2-1-3-9-21/h1-20,35H
InChIKeyBQIRETLOJHINMZ-UHFFFAOYSA-N
XLogP8.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.43
LogP ≤ 58.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-9-[8-(4-phenylphenyl)naphthalen-1-yl]fluoren-9-ol
CID 164732104
9-bromo-7-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzo[a]phenalen-7-ol
CID 164970165
9-bromo-7,7-dimethylbenzo[a]phenalene
CID 118532943
5,9-dibromo-7-(2-phenylphenyl)benzo[c]fluoren-7-ol
CID 159840837
11-bromo-14-(2-phenanthren-9-ylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-ol
CID 130463599
3-bromo-7-[2-(4-phenylphenyl)phenyl]benzo[b]phenalen-7-ol
CID 164732050
3-bromo-10,10-dimethyl-9-(2-phenylphenyl)anthracen-9-ol
CID 142567776
9-[2-(1-benzofuran-2-yl)phenyl]-2-bromofluoren-9-ol
CID 134529564
10-bromo-14-(2-naphthalen-1-ylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-ol
CID 130463591
10-bromo-7,7-diphenylbenzo[a]phenalene
CID 118532999
7-(3-bromophenyl)-7-phenylbenzo[a]phenalene
CID 134352385
9-(2-bromophenyl)-2,7-diphenylfluoren-9-ol
CID 118049424

Frequently Asked Questions

What is the IUPAC name of 9-bromo-7-(8-phenylnaphthalen-1-yl)benzo[a]phenalen-7-ol?
The IUPAC name of 9-bromo-7-(8-phenylnaphthalen-1-yl)benzo[a]phenalen-7-ol (CID 176723096) is 9-bromo-7-(8-phenylnaphthalen-1-yl)benzo[a]phenalen-7-ol.
What is the SMILES notation for 9-bromo-7-(8-phenylnaphthalen-1-yl)benzo[a]phenalen-7-ol?
The canonical SMILES for 9-bromo-7-(8-phenylnaphthalen-1-yl)benzo[a]phenalen-7-ol is OC1(c2cccc3cccc(-c4ccccc4)c23)c2cc(Br)ccc2-c2cccc3cccc1c23.
What is the InChIKey of 9-bromo-7-(8-phenylnaphthalen-1-yl)benzo[a]phenalen-7-ol?
The InChIKey is BQIRETLOJHINMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21BrO/c34-24-18-19-26-27-15-5-11-23-13-7-17-29(32(23)27)33(35,30(26)20-24)28-16-6-12-22-10-4-14-25(31(22)28)21-8-2-1-3-9-21/h1-20,35H.
What are the key properties of 9-bromo-7-(8-phenylnaphthalen-1-yl)benzo[a]phenalen-7-ol?
9-bromo-7-(8-phenylnaphthalen-1-yl)benzo[a]phenalen-7-ol has a molecular weight of 513.43 g/mol, XLogP of 8.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-7-(8-phenylnaphthalen-1-yl)benzo[a]phenalen-7-ol is sourced from PubChem (CID 176723096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).