5-(3-bromophenyl)-11H-indeno[1,2-c]isoquinoline

C22H14BrN — CID 129088173

IUPAC5-(3-bromophenyl)-11H-indeno[1,2-c]isoquinoline
SMILESBrc1cccc(-c2nc3c(c4ccccc24)Cc2ccccc2-3)c1
InChIInChI=1S/C22H14BrN/c23-16-8-5-7-15(12-16)21-19-11-4-3-10-18(19)20-13-14-6-1-2-9-17(14)22(20)24-21/h1-12H,13H2
InChIKeyWMJBKUNPBBWBRJ-UHFFFAOYSA-N
MW372.27 g/mol
LogP6.24
Rot. Bonds1

About 5-(3-bromophenyl)-11H-indeno[1,2-c]isoquinoline

5-(3-bromophenyl)-11H-indeno[1,2-c]isoquinoline (PubChem CID 129088173) has the molecular formula C22H14BrN and a molecular weight of 372.27 g/mol. Its IUPAC name is 5-(3-bromophenyl)-11H-indeno[1,2-c]isoquinoline.

Molecular Properties

Compound Name5-(3-bromophenyl)-11H-indeno[1,2-c]isoquinoline
PubChem CID129088173
Molecular FormulaC22H14BrN
Molecular Weight372.27 g/mol
Exact Mass371.03
IUPAC Name5-(3-bromophenyl)-11H-indeno[1,2-c]isoquinoline
SMILESBrc1cccc(-c2nc3c(c4ccccc24)Cc2ccccc2-3)c1
InChIInChI=1S/C22H14BrN/c23-16-8-5-7-15(12-16)21-19-11-4-3-10-18(19)20-13-14-6-1-2-9-17(14)22(20)24-21/h1-12H,13H2
InChIKeyWMJBKUNPBBWBRJ-UHFFFAOYSA-N
XLogP6.24
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.27
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-11H-indeno[1,2-c]isoquinoline
CID 22290968
4,6-bis[2-(3-bromophenyl)-9H-fluoren-1-yl]dibenzofuran
CID 172853512
1-(3-bromophenyl)-3-methylisoquinoline
CID 170562488
2-[4-(3-hydroxyphenyl)-5H-indeno[1,2-b]pyridin-2-yl]phenol
CID 142731316
8-bromo-2,4-diphenyl-5H-indeno[1,2-d]pyrimidine
CID 152936992
4-phenyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]-5H-indeno[1,2-d]pyrimidine
CID 144884682
2-phenyl-4-[4-(4-phenylquinazolin-2-yl)phenyl]-5H-indeno[1,2-d]pyrimidine
CID 122487429
3,4-dimethoxy-5H-indeno[1,2-b]pyridin-2-amine
CID 67354604
4-[4-(3-chlorophenyl)-5H-indeno[1,2-b]pyridin-2-yl]phenol
CID 137175159
3-[4-(3-chlorophenyl)-5H-indeno[1,2-b]pyridin-2-yl]phenol
CID 127032595
9-[2-(3-bromophenyl)phenyl]phenanthrene
CID 144984920
8-(3-bromophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 23344309

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-11H-indeno[1,2-c]isoquinoline?
The IUPAC name of 5-(3-bromophenyl)-11H-indeno[1,2-c]isoquinoline (CID 129088173) is 5-(3-bromophenyl)-11H-indeno[1,2-c]isoquinoline.
What is the SMILES notation for 5-(3-bromophenyl)-11H-indeno[1,2-c]isoquinoline?
The canonical SMILES for 5-(3-bromophenyl)-11H-indeno[1,2-c]isoquinoline is Brc1cccc(-c2nc3c(c4ccccc24)Cc2ccccc2-3)c1.
What is the InChIKey of 5-(3-bromophenyl)-11H-indeno[1,2-c]isoquinoline?
The InChIKey is WMJBKUNPBBWBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14BrN/c23-16-8-5-7-15(12-16)21-19-11-4-3-10-18(19)20-13-14-6-1-2-9-17(14)22(20)24-21/h1-12H,13H2.
What are the key properties of 5-(3-bromophenyl)-11H-indeno[1,2-c]isoquinoline?
5-(3-bromophenyl)-11H-indeno[1,2-c]isoquinoline has a molecular weight of 372.27 g/mol, XLogP of 6.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-11H-indeno[1,2-c]isoquinoline is sourced from PubChem (CID 129088173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).