10-[3-(3-bromophenyl)phenyl]-7,7-dimethylbenzo[a]phenalene

C31H23Br — CID 118532981

IUPAC10-[3-(3-bromophenyl)phenyl]-7,7-dimethylbenzo[a]phenalene
SMILESCC1(C)c2ccc(-c3cccc(-c4cccc(Br)c4)c3)cc2-c2cccc3cccc1c23
InChIInChI=1S/C31H23Br/c1-31(2)28-16-15-24(22-10-3-9-21(17-22)23-11-4-12-25(32)18-23)19-27(28)26-13-5-7-20-8-6-14-29(31)30(20)26/h3-19H,1-2H3
InChIKeyCWRLVQIHINKVER-UHFFFAOYSA-N
MW475.43 g/mol
LogP9.24
Rot. Bonds2

About 10-[3-(3-bromophenyl)phenyl]-7,7-dimethylbenzo[a]phenalene

10-[3-(3-bromophenyl)phenyl]-7,7-dimethylbenzo[a]phenalene (PubChem CID 118532981) has the molecular formula C31H23Br and a molecular weight of 475.43 g/mol. Its IUPAC name is 10-[3-(3-bromophenyl)phenyl]-7,7-dimethylbenzo[a]phenalene.

Molecular Properties

Compound Name10-[3-(3-bromophenyl)phenyl]-7,7-dimethylbenzo[a]phenalene
PubChem CID118532981
Molecular FormulaC31H23Br
Molecular Weight475.43 g/mol
Exact Mass474.10
IUPAC Name10-[3-(3-bromophenyl)phenyl]-7,7-dimethylbenzo[a]phenalene
SMILESCC1(C)c2ccc(-c3cccc(-c4cccc(Br)c4)c3)cc2-c2cccc3cccc1c23
InChIInChI=1S/C31H23Br/c1-31(2)28-16-15-24(22-10-3-9-21(17-22)23-11-4-12-25(32)18-23)19-27(28)26-13-5-7-20-8-6-14-29(31)30(20)26/h3-19H,1-2H3
InChIKeyCWRLVQIHINKVER-UHFFFAOYSA-N
XLogP9.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.43
LogP ≤ 59.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 10-[3-(3-bromophenyl)phenyl]-7,7-dimethylbenzo[a]phenalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-bromo-7,7-dimethylbenzo[a]phenalene
CID 118532943
7,7-dimethyl-10-(5-pyren-1-ylnaphthalen-2-yl)benzo[a]phenalene
CID 171046268
7,7-dimethyl-10-(8-pyren-1-ylnaphthalen-1-yl)benzo[a]phenalene
CID 171045236
9,9-dimethyl-3-[3-[4-(4-methylphenyl)phenyl]phenyl]fluorene
CID 156827523
(7,7-dimethylbenzo[a]phenalen-10-yl)boronic acid
CID 140780244
3-(9,9-dimethylfluoren-3-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline
CID 154972891
4-(3-bromophenyl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 118532985
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)spiro[tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-5-amine
CID 129085756
4-[3-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyridine
CID 121450695
2,3,5-triphenyl-6-[3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]pyrazine
CID 166901883
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
4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 170031270

Frequently Asked Questions

What is the IUPAC name of 10-[3-(3-bromophenyl)phenyl]-7,7-dimethylbenzo[a]phenalene?
The IUPAC name of 10-[3-(3-bromophenyl)phenyl]-7,7-dimethylbenzo[a]phenalene (CID 118532981) is 10-[3-(3-bromophenyl)phenyl]-7,7-dimethylbenzo[a]phenalene.
What is the SMILES notation for 10-[3-(3-bromophenyl)phenyl]-7,7-dimethylbenzo[a]phenalene?
The canonical SMILES for 10-[3-(3-bromophenyl)phenyl]-7,7-dimethylbenzo[a]phenalene is CC1(C)c2ccc(-c3cccc(-c4cccc(Br)c4)c3)cc2-c2cccc3cccc1c23.
What is the InChIKey of 10-[3-(3-bromophenyl)phenyl]-7,7-dimethylbenzo[a]phenalene?
The InChIKey is CWRLVQIHINKVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23Br/c1-31(2)28-16-15-24(22-10-3-9-21(17-22)23-11-4-12-25(32)18-23)19-27(28)26-13-5-7-20-8-6-14-29(31)30(20)26/h3-19H,1-2H3.
What are the key properties of 10-[3-(3-bromophenyl)phenyl]-7,7-dimethylbenzo[a]phenalene?
10-[3-(3-bromophenyl)phenyl]-7,7-dimethylbenzo[a]phenalene has a molecular weight of 475.43 g/mol, XLogP of 9.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(3-bromophenyl)phenyl]-7,7-dimethylbenzo[a]phenalene is sourced from PubChem (CID 118532981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).