7-(3-bromophenyl)-7-phenylbenzo[a]phenalene

C29H19Br — CID 134352385

IUPAC7-(3-bromophenyl)-7-phenylbenzo[a]phenalene
SMILESBrc1cccc(C2(c3ccccc3)c3ccccc3-c3cccc4cccc2c34)c1
InChIInChI=1S/C29H19Br/c30-23-14-8-13-22(19-23)29(21-11-2-1-3-12-21)26-17-5-4-15-24(26)25-16-6-9-20-10-7-18-27(29)28(20)25/h1-19H
InChIKeyNBVZXMOYDOYEMT-UHFFFAOYSA-N
MW447.38 g/mol
LogP7.97
Rot. Bonds2

About 7-(3-bromophenyl)-7-phenylbenzo[a]phenalene

7-(3-bromophenyl)-7-phenylbenzo[a]phenalene (PubChem CID 134352385) has the molecular formula C29H19Br and a molecular weight of 447.38 g/mol. Its IUPAC name is 7-(3-bromophenyl)-7-phenylbenzo[a]phenalene.

Molecular Properties

Compound Name7-(3-bromophenyl)-7-phenylbenzo[a]phenalene
PubChem CID134352385
Molecular FormulaC29H19Br
Molecular Weight447.38 g/mol
Exact Mass446.07
IUPAC Name7-(3-bromophenyl)-7-phenylbenzo[a]phenalene
SMILESBrc1cccc(C2(c3ccccc3)c3ccccc3-c3cccc4cccc2c34)c1
InChIInChI=1S/C29H19Br/c30-23-14-8-13-22(19-23)29(21-11-2-1-3-12-21)26-17-5-4-15-24(26)25-16-6-9-20-10-7-18-27(29)28(20)25/h1-19H
InChIKeyNBVZXMOYDOYEMT-UHFFFAOYSA-N
XLogP7.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.38
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

10-bromo-7,7-diphenylbenzo[a]phenalene
CID 118532999
9-[4-[9-(3-bromophenyl)fluoren-9-yl]phenyl]-10-phenylanthracene
CID 87087450
2-bromo-10,10-diphenylspiro[anthracene-9,9'-fluorene]
CID 142567718
9,9-diphenylfluorene;methane
CID 145331804
9,9-diphenylfluorene;methane
CID 145140147
9-(4-bromophenyl)-9-(3-chlorophenyl)fluorene
CID 176760002
9-(9-phenylfluoren-9-yl)anthracene
CID 174477278
9,9-diphenyl-2-spiro[benzo[a]phenalene-7,9'-fluorene]-4'-ylxanthene
CID 170018464
N-(9,9-diphenylfluoren-2-yl)-N,5'-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
CID 168812075
N-[4-(7,7-diphenylbenzo[a]phenalen-9-yl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 118532996
5-[3-(9-phenylfluoren-9-yl)phenyl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 170021926
16-[3-(9-phenylfluoren-9-yl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 170021978

Frequently Asked Questions

What is the IUPAC name of 7-(3-bromophenyl)-7-phenylbenzo[a]phenalene?
The IUPAC name of 7-(3-bromophenyl)-7-phenylbenzo[a]phenalene (CID 134352385) is 7-(3-bromophenyl)-7-phenylbenzo[a]phenalene.
What is the SMILES notation for 7-(3-bromophenyl)-7-phenylbenzo[a]phenalene?
The canonical SMILES for 7-(3-bromophenyl)-7-phenylbenzo[a]phenalene is Brc1cccc(C2(c3ccccc3)c3ccccc3-c3cccc4cccc2c34)c1.
What is the InChIKey of 7-(3-bromophenyl)-7-phenylbenzo[a]phenalene?
The InChIKey is NBVZXMOYDOYEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19Br/c30-23-14-8-13-22(19-23)29(21-11-2-1-3-12-21)26-17-5-4-15-24(26)25-16-6-9-20-10-7-18-27(29)28(20)25/h1-19H.
What are the key properties of 7-(3-bromophenyl)-7-phenylbenzo[a]phenalene?
7-(3-bromophenyl)-7-phenylbenzo[a]phenalene has a molecular weight of 447.38 g/mol, XLogP of 7.97, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-bromophenyl)-7-phenylbenzo[a]phenalene is sourced from PubChem (CID 134352385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).